N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

C16H18ClNO2 — CID 4719073

IUPACN-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-19-14-8-7-13(16(9-14)20-2)11-18-10-12-5-3-4-6-15(12)17/h3-9,18H,10-11H2,1-2H3
InChIKeyKTQUOEDSRZRDKF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine

N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (PubChem CID 4719073) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
PubChem CID4719073
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2ccccc2Cl)c(OC)c1
InChIInChI=1S/C16H18ClNO2/c1-19-14-8-7-13(16(9-14)20-2)11-18-10-12-5-3-4-6-15(12)17/h3-9,18H,10-11H2,1-2H3
InChIKeyKTQUOEDSRZRDKF-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
2-[[(2-chlorophenyl)methylamino]methyl]-5-methoxyphenol
CID 61268747
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(4-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 115595290
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 103792636
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
1-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208022
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
1-(3-chloro-4-fluorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
CID 62537275

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine (CID 4719073) is N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is COc1ccc(CNCc2ccccc2Cl)c(OC)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
The InChIKey is KTQUOEDSRZRDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-19-14-8-7-13(16(9-14)20-2)11-18-10-12-5-3-4-6-15(12)17/h3-9,18H,10-11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine?
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine has a molecular weight of 291.78 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 4719073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).