1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine

C16H18ClN — CID 115504108

IUPAC1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN/c1-11-4-5-15(10-16(11)17)14-8-6-13(7-9-14)12(2)18-3/h4-10,12,18H,1-3H3
InChIKeyQCNNXQFCJPUTRW-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.60
Rot. Bonds3

About 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine

1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine (PubChem CID 115504108) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
PubChem CID115504108
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C16H18ClN/c1-11-4-5-15(10-16(11)17)14-8-6-13(7-9-14)12(2)18-3/h4-10,12,18H,1-3H3
InChIKeyQCNNXQFCJPUTRW-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 82539969
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
CID 82783154
1-(3-chloro-4-methylphenyl)-N,4-dimethylpentan-1-amine
CID 115834684
1-(3-chloro-4-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 115854463
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 114879159
1-(4-bromophenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 63194356

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine (CID 115504108) is 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine?
The InChIKey is QCNNXQFCJPUTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-4-5-15(10-16(11)17)14-8-6-13(7-9-14)12(2)18-3/h4-10,12,18H,1-3H3.
What are the key properties of 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine?
1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 115504108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).