N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine

C17H17ClN2O — CID 103291932

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1c[nH]c2ccccc12
InChIInChI=1S/C17H17ClN2O/c1-21-17-8-4-6-15(18)14(17)11-19-9-12-10-20-16-7-3-2-5-13(12)16/h2-8,10,19-20H,9,11H2,1H3
InChIKeyLHWLAJQCFDQZEQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.12
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine (PubChem CID 103291932) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
PubChem CID103291932
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1c[nH]c2ccccc12
InChIInChI=1S/C17H17ClN2O/c1-21-17-8-4-6-15(18)14(17)11-19-9-12-10-20-16-7-3-2-5-13(12)16/h2-8,10,19-20H,9,11H2,1H3
InChIKeyLHWLAJQCFDQZEQ-UHFFFAOYSA-N
XLogP4.12
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
CID 103292073
N-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 66536552
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine (CID 103291932) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine is COc1cccc(Cl)c1CNCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine?
The InChIKey is LHWLAJQCFDQZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-21-17-8-4-6-15(18)14(17)11-19-9-12-10-20-16-7-3-2-5-13(12)16/h2-8,10,19-20H,9,11H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine has a molecular weight of 300.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine is sourced from PubChem (CID 103291932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).