1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine

C16H17ClFN — CID 115484339

IUPAC1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)c(C)cc2Cl)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-10-6-14(15(17)7-11(10)2)13-5-4-12(9-19-3)8-16(13)18/h4-8,19H,9H2,1-3H3
InChIKeyBMNQYPKALNYUPU-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.48
Rot. Bonds3

About 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine

1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine (PubChem CID 115484339) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
PubChem CID115484339
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
SMILESCNCc1ccc(-c2cc(C)c(C)cc2Cl)c(F)c1
InChIInChI=1S/C16H17ClFN/c1-10-6-14(15(17)7-11(10)2)13-5-4-12(9-19-3)8-16(13)18/h4-8,19H,9H2,1-3H3
InChIKeyBMNQYPKALNYUPU-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(2-chloro-4,5-dimethylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410126
1-[4-(2,4-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 81446952
N-[[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methyl]cyclopropanamine
CID 81441214
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
1-[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]-N-methylmethanamine
CID 81447979
[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
CID 81441213
N-[[3-(2-chloro-4,5-dimethylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 115484355
1-[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66481802
1-[3-(2,5-difluoro-4-methylphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105410107
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607
1-[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]-N-methylmethanamine
CID 116810918
1-[4-(2-fluoro-5-methylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 66479816

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine (CID 115484339) is 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine is CNCc1ccc(-c2cc(C)c(C)cc2Cl)c(F)c1.
What is the InChIKey of 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine?
The InChIKey is BMNQYPKALNYUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-10-6-14(15(17)7-11(10)2)13-5-4-12(9-19-3)8-16(13)18/h4-8,19H,9H2,1-3H3.
What are the key properties of 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine?
1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4,5-dimethylphenyl)-3-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 115484339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).