1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine

C16H18ClNO — CID 43481478

IUPAC1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-18-16(13-5-7-14(17)8-6-13)11-12-3-9-15(19-2)10-4-12/h3-10,16,18H,11H2,1-2H3
InChIKeyVFMSMJGHOLFQEG-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.85
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine

1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 43481478) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
PubChem CID43481478
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(OC)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-18-16(13-5-7-14(17)8-6-13)11-12-3-9-15(19-2)10-4-12/h3-10,16,18H,11H2,1-2H3
InChIKeyVFMSMJGHOLFQEG-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81288682
1-(4-bromo-3-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81296013
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
1-(3-bromo-4-methoxyphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 43479903
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
2-(4-chlorophenyl)-1-(3,5-dimethoxypyrazin-2-yl)-N-methylethanamine
CID 105031131
1-(4-chlorophenyl)-3-(4-methoxyphenyl)propan-2-ol
CID 61375521
2-(1,3-benzodioxol-5-yl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 90665682
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
1-(3-fluoro-5-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 79703735

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine (CID 43481478) is 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccc(OC)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is VFMSMJGHOLFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-18-16(13-5-7-14(17)8-6-13)11-12-3-9-15(19-2)10-4-12/h3-10,16,18H,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine?
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 43481478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).