N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine

C20H24N2O — CID 59921071

IUPACN-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
SMILESCCN(C)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H24N2O/c1-4-22(2)14-13-18-17-7-5-6-8-19(17)21-20(18)15-9-11-16(23-3)12-10-15/h5-12,21H,4,13-14H2,1-3H3
InChIKeyIMKLGBWUXVZTLD-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.34
Rot. Bonds6

About N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine

N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine (PubChem CID 59921071) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
PubChem CID59921071
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine
SMILESCCN(C)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H24N2O/c1-4-22(2)14-13-18-17-7-5-6-8-19(17)21-20(18)15-9-11-16(23-3)12-10-15/h5-12,21H,4,13-14H2,1-3H3
InChIKeyIMKLGBWUXVZTLD-UHFFFAOYSA-N
XLogP4.34
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylprop-2-enyl)propanamide
CID 52539141
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-prop-2-enylpropanamide
CID 9076803
2,3-bis(4-methoxyphenyl)-1H-indole
CID 21129
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505630
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(2-methylpropyl)propanamide
CID 17463237
N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 24825401
ethyl N-[2-[3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanoylamino]ethyl]carbamate
CID 56558488
4-[4-(dimethylamino)phenyl]-N-[2-[2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 58615561
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 27034289
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-(5-methylhexan-2-yl)propanamide
CID 16566418
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083534
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 159500765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine?
The IUPAC name of N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine (CID 59921071) is N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine.
What is the SMILES notation for N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine?
The canonical SMILES for N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine is CCN(C)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12.
What is the InChIKey of N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine?
The InChIKey is IMKLGBWUXVZTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-22(2)14-13-18-17-7-5-6-8-19(17)21-20(18)15-9-11-16(23-3)12-10-15/h5-12,21H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine?
N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine has a molecular weight of 308.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methylethanamine is sourced from PubChem (CID 59921071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).