N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine

C17H26N2O — CID 177026311

IUPACN-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(C)CCc1c[nH]c2ccc(OC(C)C)cc12
InChIInChI=1S/C17H26N2O/c1-5-9-19(4)10-8-14-12-18-17-7-6-15(11-16(14)17)20-13(2)3/h6-7,11-13,18H,5,8-10H2,1-4H3
InChIKeyQHWXOFVCXLJLOH-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.84
Rot. Bonds7

About N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine

N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine (PubChem CID 177026311) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
PubChem CID177026311
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
SMILESCCCN(C)CCc1c[nH]c2ccc(OC(C)C)cc12
InChIInChI=1S/C17H26N2O/c1-5-9-19(4)10-8-14-12-18-17-7-6-15(11-16(14)17)20-13(2)3/h6-7,11-13,18H,5,8-10H2,1-4H3
InChIKeyQHWXOFVCXLJLOH-UHFFFAOYSA-N
XLogP3.84
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-[5-(4-methylpentan-2-yloxy)-1H-indol-3-yl]ethanamine
CID 123587911
[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl] propanoate
CID 169222529
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24802109
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl] acetate;oxalic acid
CID 90674869
3-[(3-butyl-1H-indol-5-yl)oxy]butan-2-one
CID 143093423
4-[[3-[2-[methyl(propan-2-yl)amino]ethyl]-1H-indol-5-yl]oxy]-4-oxobutanoic acid
CID 169222132
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrate;hydrochloride
CID 71311787
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 74405227
5-[[3-[2-(dipropylamino)ethyl]-1H-indol-5-yl]oxy]-5-oxopentanoic acid
CID 169222605
2-[5-(4-propan-2-yloxyphenyl)-1H-indol-3-yl]ethanamine;hydrochloride
CID 75366101
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
N-ethyl-2-(5-isocyano-1H-indol-3-yl)-N-methylethanamine
CID 162773393

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine (CID 177026311) is N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine is CCCN(C)CCc1c[nH]c2ccc(OC(C)C)cc12.
What is the InChIKey of N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine?
The InChIKey is QHWXOFVCXLJLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-9-19(4)10-8-14-12-18-17-7-6-15(11-16(14)17)20-13(2)3/h6-7,11-13,18H,5,8-10H2,1-4H3.
What are the key properties of N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine?
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine has a molecular weight of 274.41 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 177026311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).