3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine

C19H21ClN2O — CID 58088517

IUPAC3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccccc1OC)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C19H21ClN2O/c1-21-11-10-13(14-6-3-4-9-18(14)23-2)15-12-22-17-8-5-7-16(20)19(15)17/h3-9,12-13,21-22H,10-11H2,1-2H3
InChIKeyXYXFDHXMVKBUAV-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.57
Rot. Bonds6

About 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine

3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine (PubChem CID 58088517) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
PubChem CID58088517
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccccc1OC)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C19H21ClN2O/c1-21-11-10-13(14-6-3-4-9-18(14)23-2)15-12-22-17-8-5-7-16(20)19(15)17/h3-9,12-13,21-22H,10-11H2,1-2H3
InChIKeyXYXFDHXMVKBUAV-UHFFFAOYSA-N
XLogP4.57
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-chloro-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088531
3-(4-chloro-1H-indol-3-yl)-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 58088510
4-(4-methoxy-1H-indol-3-yl)-N-methyl-4-phenylbutan-1-amine
CID 58088594
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
3-[4-(cyclopropylmethoxy)-1H-indol-3-yl]-N-methyl-3-phenylpropan-1-amine
CID 58088528
1-[(3S)-3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-2-[3-(4-methoxy-1H-indol-3-yl)-3-phenylpropyl]-1,2-dimethylhydrazine
CID 67268953
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 46178745
3-(4-bromo-7-methoxy-1H-indol-3-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088539
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
(1S)-1-(4-chloro-1H-indol-3-yl)propan-1-amine
CID 82758826

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine (CID 58088517) is 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine is CNCCC(c1ccccc1OC)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
The InChIKey is XYXFDHXMVKBUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-21-11-10-13(14-6-3-4-9-18(14)23-2)15-12-22-17-8-5-7-16(20)19(15)17/h3-9,12-13,21-22H,10-11H2,1-2H3.
What are the key properties of 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine?
3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine has a molecular weight of 328.84 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-indol-3-yl)-3-(2-methoxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 58088517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).