3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine

C18H19ClN2O — CID 83976598

IUPAC3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc2[nH]cc(C(CN)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H19ClN2O/c1-22-15-5-6-18-16(9-15)17(11-21-18)13(10-20)7-12-3-2-4-14(19)8-12/h2-6,8-9,11,13,21H,7,10,20H2,1H3
InChIKeyKKPZWJWMUIDAJE-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.11
Rot. Bonds5

About 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine

3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine (PubChem CID 83976598) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
PubChem CID83976598
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine
SMILESCOc1ccc2[nH]cc(C(CN)Cc3cccc(Cl)c3)c2c1
InChIInChI=1S/C18H19ClN2O/c1-22-15-5-6-18-16(9-15)17(11-21-18)13(10-20)7-12-3-2-4-14(19)8-12/h2-6,8-9,11,13,21H,7,10,20H2,1H3
InChIKeyKKPZWJWMUIDAJE-UHFFFAOYSA-N
XLogP4.11
TPSA51.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
2-(5-chloro-1H-indol-3-yl)-3-(3-propan-2-yloxyphenyl)propan-1-amine
CID 83976499
4-[3-amino-2-(5-methoxy-1H-indol-3-yl)propyl]-2-methoxyphenol
CID 83976615
2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
2-(5-methyl-1H-indol-3-yl)-3-[3-(2-methylpropoxy)phenyl]propan-1-amine
CID 83976433
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
2-(furan-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanamine
CID 82088975
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
3-(3-chloro-4-ethoxyphenyl)-2-(5-methyl-1H-indol-3-yl)propan-1-amine
CID 83976420
2-(6-chloro-1-methylindol-3-yl)-3-(3-chlorophenyl)propan-1-amine
CID 83976836
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
The IUPAC name of 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine (CID 83976598) is 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine is COc1ccc2[nH]cc(C(CN)Cc3cccc(Cl)c3)c2c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
The InChIKey is KKPZWJWMUIDAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-22-15-5-6-18-16(9-15)17(11-21-18)13(10-20)7-12-3-2-4-14(19)8-12/h2-6,8-9,11,13,21H,7,10,20H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine?
3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine has a molecular weight of 314.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-(5-methoxy-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 83976598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).