1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine

C16H17ClFN — CID 82783166

IUPAC1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)c(F)c2)cc1Cl
InChIInChI=1S/C16H17ClFN/c1-10-4-5-13(9-16(10)18)12-6-7-14(11(2)19-3)15(17)8-12/h4-9,11,19H,1-3H3
InChIKeyUPRGVWYBBRSDKX-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.73
Rot. Bonds3

About 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine

1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine (PubChem CID 82783166) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
PubChem CID82783166
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)c(F)c2)cc1Cl
InChIInChI=1S/C16H17ClFN/c1-10-4-5-13(9-16(10)18)12-6-7-14(11(2)19-3)15(17)8-12/h4-9,11,19H,1-3H3
InChIKeyUPRGVWYBBRSDKX-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
CID 82783154
1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 114879159
1-[2-chloro-4-(2,3,4-trifluorophenyl)phenyl]-N-methylethanamine
CID 82781900
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 82782672
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
CID 115504108
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
1-[2-(3-fluoro-4-methylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287591
N-[1-[2-chloro-4-(3,5-difluorophenyl)phenyl]ethyl]propan-1-amine
CID 82771991
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
CID 82782798
N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 81377556

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine (CID 82783166) is 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(C)c(F)c2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine?
The InChIKey is UPRGVWYBBRSDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-4-5-13(9-16(10)18)12-6-7-14(11(2)19-3)15(17)8-12/h4-9,11,19H,1-3H3.
What are the key properties of 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine?
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82783166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).