1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine

C14H13ClFN — CID 55181591

IUPAC1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-17-14(10-5-3-2-4-6-10)11-7-8-13(16)12(15)9-11/h2-9,14,17H,1H3
InChIKeyJPIVXVWWYOFAEM-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.79
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine

1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine (PubChem CID 55181591) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
PubChem CID55181591
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13ClFN/c1-17-14(10-5-3-2-4-6-10)11-7-8-13(16)12(15)9-11/h2-9,14,17H,1H3
InChIKeyJPIVXVWWYOFAEM-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
[(3-chloro-4-fluorophenyl)-phenylmethyl]hydrazine
CID 105218019
1-(3-chloro-4-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 63086652
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-yloxyphenyl)methanamine
CID 63088821
1-(4-fluoro-3-methoxyphenyl)-N-methyl-1-phenylmethanamine
CID 81283092
1-(3-chloro-4-methylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63194706
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
1-(3-chloro-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 82875403
1-(4-chloro-3-fluorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107991696
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(5-bromofuran-2-yl)-1-(3-chloro-4-fluorophenyl)-N-methylmethanamine
CID 82874924
1-(3-chloro-4-fluorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 55181977

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine (CID 55181591) is 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
The InChIKey is JPIVXVWWYOFAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-17-14(10-5-3-2-4-6-10)11-7-8-13(16)12(15)9-11/h2-9,14,17H,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 55181591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).