1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine

C16H18ClNO — CID 43406541

IUPAC1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-3-8-16(19-2)14(9-12)11-18-10-13-4-6-15(17)7-5-13/h3-9,18H,10-11H2,1-2H3
InChIKeyUUZBMTLCFPZZJD-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.95
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine

1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine (PubChem CID 43406541) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
PubChem CID43406541
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
SMILESCOc1ccc(C)cc1CNCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-12-3-8-16(19-2)14(9-12)11-18-10-13-4-6-15(17)7-5-13/h3-9,18H,10-11H2,1-2H3
InChIKeyUUZBMTLCFPZZJD-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 65024708
1-(4-chlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 52526472
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835
4-[[(5-chloro-2-methoxyphenyl)methylamino]methyl]benzoic acid
CID 4723343
1-(3-fluorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 43423933
1-(4-chlorophenyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62161181
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
2-(chloromethyl)-2-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]butan-1-amine
CID 114164282
N-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723938

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine (CID 43406541) is 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine is COc1ccc(C)cc1CNCc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
The InChIKey is UUZBMTLCFPZZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-3-8-16(19-2)14(9-12)11-18-10-13-4-6-15(17)7-5-13/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine?
1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]methanamine is sourced from PubChem (CID 43406541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).