[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine

C15H13ClN2 — CID 122439577

IUPAC[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine
SMILESNCc1cccc(Cl)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H13ClN2/c16-13-6-3-4-10(8-17)15(13)12-9-18-14-7-2-1-5-11(12)14/h1-7,9,18H,8,17H2
InChIKeyOLEIBQWOAARWDF-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.95
Rot. Bonds2

About [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine

[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine (PubChem CID 122439577) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine
PubChem CID122439577
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine
SMILESNCc1cccc(Cl)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H13ClN2/c16-13-6-3-4-10(8-17)15(13)12-9-18-14-7-2-1-5-11(12)14/h1-7,9,18H,8,17H2
InChIKeyOLEIBQWOAARWDF-UHFFFAOYSA-N
XLogP3.95
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
[3-chloro-2-(1λ3-iodacyclopropen-2-yl)phenyl]methanamine
CID 143109439
5,7-dichloro-3-(1H-indol-3-yl)-1H-indole
CID 10518361
7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-(2,6-dichlorophenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976328
[2-(1H-indol-3-yl)phenyl]methanesulfonamide
CID 143410357
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
CID 127051436
4-amino-5-(1H-indol-3-yl)-1H-pyrimidin-6-one
CID 135780355
2-(1H-indol-3-yl)aniline
CID 25210227
1-[2-(1H-indol-3-yl)phenyl]-N,N-dimethylmethanamine
CID 174403598
3-(4-chloro-1H-pyrazol-5-yl)-1H-indole
CID 145022790

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine?
The IUPAC name of [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine (CID 122439577) is [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine?
The canonical SMILES for [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine is NCc1cccc(Cl)c1-c1c[nH]c2ccccc12.
What is the InChIKey of [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine?
The InChIKey is OLEIBQWOAARWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-13-6-3-4-10(8-17)15(13)12-9-18-14-7-2-1-5-11(12)14/h1-7,9,18H,8,17H2.
What are the key properties of [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine?
[3-chloro-2-(1H-indol-3-yl)phenyl]methanamine has a molecular weight of 256.74 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-(1H-indol-3-yl)phenyl]methanamine is sourced from PubChem (CID 122439577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).