N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine

C17H17ClN2O — CID 103292073

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1cccc2[nH]ccc12
InChIInChI=1S/C17H17ClN2O/c1-21-17-7-3-5-15(18)14(17)11-19-10-12-4-2-6-16-13(12)8-9-20-16/h2-9,19-20H,10-11H2,1H3
InChIKeyUFHSDASXOJUISV-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.12
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine

N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine (PubChem CID 103292073) 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-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
PubChem CID103292073
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine
SMILESCOc1cccc(Cl)c1CNCc1cccc2[nH]ccc12
InChIInChI=1S/C17H17ClN2O/c1-21-17-7-3-5-15(18)14(17)11-19-10-12-4-2-6-16-13(12)8-9-20-16/h2-9,19-20H,10-11H2,1H3
InChIKeyUFHSDASXOJUISV-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-3-yl)methanamine
CID 103291932
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
2-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]-6-methylphenol
CID 103291995
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
1-[(2-chloro-6-methoxyphenyl)methylamino]propan-2-ol
CID 115634692
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
2,4-dichloro-6-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]phenol
CID 103292059
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
N-[(2-chlorophenyl)methyl]-1-[3-methoxy-2-(2-methoxyethoxy)phenyl]methanamine
CID 54849158
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1-ethylpyrrol-2-yl)methanamine
CID 103292079
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine (CID 103292073) is N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine is COc1cccc(Cl)c1CNCc1cccc2[nH]ccc12.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine?
The InChIKey is UFHSDASXOJUISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-21-17-7-3-5-15(18)14(17)11-19-10-12-4-2-6-16-13(12)8-9-20-16/h2-9,19-20H,10-11H2,1H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-yl)methanamine?
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-4-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-4-yl)methanamine is sourced from PubChem (CID 103292073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).