3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

C19H22N2O — CID 58088410

IUPAC3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c1-20-12-11-16(14-7-9-15(22-2)10-8-14)18-13-21-19-6-4-3-5-17(18)19/h3-10,13,16,20-21H,11-12H2,1-2H3
InChIKeyYJNNHTFIOVRJJX-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.92
Rot. Bonds6

About 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine

3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 58088410) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID58088410
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O/c1-20-12-11-16(14-7-9-15(22-2)10-8-14)18-13-21-19-6-4-3-5-17(18)19/h3-10,13,16,20-21H,11-12H2,1-2H3
InChIKeyYJNNHTFIOVRJJX-UHFFFAOYSA-N
XLogP3.92
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-[2,4-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)butan-2-yl]-1H-indole
CID 25008232
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
(2R)-2-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-N-methylpropanamide
CID 8645036
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
1-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-3-phenylurea
CID 40880801
2-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pentanamide
CID 119266811
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methoxybenzamide
CID 17014418
(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
CID 124566723
1-[2-fluoro-6-[[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]phenyl]ethanone
CID 55431981
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-methylsulfonylpropanamide
CID 60544253
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]hexanamide
CID 43007542

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine (CID 58088410) is 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is CNCCC(c1ccc(OC)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is YJNNHTFIOVRJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-12-11-16(14-7-9-15(22-2)10-8-14)18-13-21-19-6-4-3-5-17(18)19/h3-10,13,16,20-21H,11-12H2,1-2H3.
What are the key properties of 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine?
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 294.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 58088410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).