3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine

C98H125F9N16 — CID 163747473

IUPAC3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESCCN(C)CCc1c(C#N)[nH]c2ccccc12.CCN(C)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCN(C)CCc1c[nH]c2c(C#N)cccc12.CCN(C)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCN(C)CCc1c[nH]c2cc(C)ccc12.CCN(C)CCc1c[nH]c2ccc(C)cc12.CCN(C)CCc1c[nH]c2cccc(C(F)(F)F)c12
InChIInChI=1S/3C14H17F3N2.2C14H17N3.2C14H20N2/c1-3-19(2)8-7-10-9-18-12-6-4-5-11(13(10)12)14(15,16)17;1-3-19(2)8-7-10-9-18-13-11(10)5-4-6-12(13)14(15,16)17;1-3-19(2)9-8-11-10-6-4-5-7-12(10)18-13(11)14(15,16)17;1-3-17(2)8-7-12-10-16-14-11(9-15)5-4-6-13(12)14;1-3-17(2)9-8-12-11-6-4-5-7-13(11)16-14(12)10-15;1-4-16(3)8-7-12-10-15-14-6-5-11(2)9-13(12)14;1-4-16(3)8-7-12-10-15-14-9-11(2)5-6-13(12)14/h2*4-6,9,18H,3,7-8H2,1-2H3;4-7,18H,3,8-9H2,1-2H3;4-6,10,16H,3,7-8H2,1-2H3;4-7,16H,3,8-9H2,1-2H3;2*5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyLNCBWVROISFEKX-UHFFFAOYSA-N
MW1698.17 g/mol
LogP22.05
Rot. Bonds28

About 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine

3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine (PubChem CID 163747473) has the molecular formula C98H125F9N16 and a molecular weight of 1698.17 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine
PubChem CID163747473
Molecular FormulaC98H125F9N16
Molecular Weight1698.17 g/mol
Exact Mass1697.01
IUPAC Name3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine
SMILESCCN(C)CCc1c(C#N)[nH]c2ccccc12.CCN(C)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCN(C)CCc1c[nH]c2c(C#N)cccc12.CCN(C)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCN(C)CCc1c[nH]c2cc(C)ccc12.CCN(C)CCc1c[nH]c2ccc(C)cc12.CCN(C)CCc1c[nH]c2cccc(C(F)(F)F)c12
InChIInChI=1S/3C14H17F3N2.2C14H17N3.2C14H20N2/c1-3-19(2)8-7-10-9-18-12-6-4-5-11(13(10)12)14(15,16)17;1-3-19(2)8-7-10-9-18-13-11(10)5-4-6-12(13)14(15,16)17;1-3-19(2)9-8-11-10-6-4-5-7-12(10)18-13(11)14(15,16)17;1-3-17(2)8-7-12-10-16-14-11(9-15)5-4-6-13(12)14;1-3-17(2)9-8-12-11-6-4-5-7-13(11)16-14(12)10-15;1-4-16(3)8-7-12-10-15-14-6-5-11(2)9-13(12)14;1-4-16(3)8-7-12-10-15-14-9-11(2)5-6-13(12)14/h2*4-6,9,18H,3,7-8H2,1-2H3;4-7,18H,3,8-9H2,1-2H3;4-6,10,16H,3,7-8H2,1-2H3;4-7,16H,3,8-9H2,1-2H3;2*5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyLNCBWVROISFEKX-UHFFFAOYSA-N
XLogP22.05
TPSA180.79 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds28
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.17
LogP ≤ 522.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine with MolForge

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Related Compounds

1,4-Bis(di(1h-indol-3-yl)methyl)benzene
CID 15637613
3-[[4-[bis(5-cyano-1H-indol-3-yl)methyl]phenyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 57326787
3-[[5-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035573
3-[[6-[bis(5-fluoro-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 127035751
3-[1H-indol-3-yl-[1-(4-methylphenyl)-9H-pyrido[3,4-b]indol-3-yl]methyl]-1H-indole-5-carbonitrile
CID 145951068
3-[[3-[bis(1H-indol-3-yl)methyl]phenyl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326685
3-[(5-amino-1H-indol-3-yl)-[4-[bis(5-amino-1H-indol-3-yl)methyl]phenyl]methyl]-1H-indol-5-amine
CID 57326885
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-3-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127034771
3-[[6-[bis(5-cyano-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-cyano-1H-indol-3-yl)methyl]-1H-indole-5-carbonitrile
CID 127035944
3-[[4-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-1H-indole-5-carbonitrile
CID 171352730
1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]indole-5-carbonitrile
CID 44316787
4-[(3R,4R)-4-[(5,7-dimethyl-1H-indol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-3-yl]benzonitrile
CID 169209600

Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine (CID 163747473) is 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine is CCN(C)CCc1c(C#N)[nH]c2ccccc12.CCN(C)CCc1c(C(F)(F)F)[nH]c2ccccc12.CCN(C)CCc1c[nH]c2c(C#N)cccc12.CCN(C)CCc1c[nH]c2c(C(F)(F)F)cccc12.CCN(C)CCc1c[nH]c2cc(C)ccc12.CCN(C)CCc1c[nH]c2ccc(C)cc12.CCN(C)CCc1c[nH]c2cccc(C(F)(F)F)c12.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
The InChIKey is LNCBWVROISFEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H17F3N2.2C14H17N3.2C14H20N2/c1-3-19(2)8-7-10-9-18-12-6-4-5-11(13(10)12)14(15,16)17;1-3-19(2)8-7-10-9-18-13-11(10)5-4-6-12(13)14(15,16)17;1-3-19(2)9-8-11-10-6-4-5-7-12(10)18-13(11)14(15,16)17;1-3-17(2)8-7-12-10-16-14-11(9-15)5-4-6-13(12)14;1-3-17(2)9-8-12-11-6-4-5-7-13(11)16-14(12)10-15;1-4-16(3)8-7-12-10-15-14-6-5-11(2)9-13(12)14;1-4-16(3)8-7-12-10-15-14-9-11(2)5-6-13(12)14/h2*4-6,9,18H,3,7-8H2,1-2H3;4-7,18H,3,8-9H2,1-2H3;4-6,10,16H,3,7-8H2,1-2H3;4-7,16H,3,8-9H2,1-2H3;2*5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine?
3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine has a molecular weight of 1698.17 g/mol, XLogP of 22.05, 28 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-2-carbonitrile;3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-7-carbonitrile;N-ethyl-N-methyl-2-(5-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-(6-methyl-1H-indol-3-yl)ethanamine;N-ethyl-N-methyl-2-[2-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[4-(trifluoromethyl)-1H-indol-3-yl]ethanamine;N-ethyl-N-methyl-2-[7-(trifluoromethyl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 163747473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).