1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine

C16H18ClNO — CID 43481405

IUPAC1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-5-13(10-15(11)19-3)16(18-2)12-6-8-14(17)9-7-12/h4-10,16,18H,1-3H3
InChIKeyMJHLMBJAJZQYGW-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.97
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine

1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine (PubChem CID 43481405) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
PubChem CID43481405
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(C)c(OC)c1
InChIInChI=1S/C16H18ClNO/c1-11-4-5-13(10-15(11)19-3)16(18-2)12-6-8-14(17)9-7-12/h4-10,16,18H,1-3H3
InChIKeyMJHLMBJAJZQYGW-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105006926
1-(3,4-dimethylphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 81283805
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115863105
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81283311
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 81283237
1-(4-bromo-3-methylphenyl)-1-(4-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 105007011
1-(5-bromo-2-fluorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 105011823
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(4-fluoro-3-methoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 81282943
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 102828202

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine (CID 43481405) is 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Cl)cc1)c1ccc(C)c(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
The InChIKey is MJHLMBJAJZQYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-4-5-13(10-15(11)19-3)16(18-2)12-6-8-14(17)9-7-12/h4-10,16,18H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine?
1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43481405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).