(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine

C14H13ClFN — CID 51694296

IUPAC(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
SMILESCN[C@@H](c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFN/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(16)9-13(12)15/h2-9,14,17H,1H3/t14-/m0/s1
InChIKeyBCVSUZQYMDXTIH-AWEZNQCLSA-N
MW249.72 g/mol
LogP3.79
Rot. Bonds3

About (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine

(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine (PubChem CID 51694296) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
PubChem CID51694296
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name(1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
SMILESCN[C@@H](c1ccccc1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H13ClFN/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(16)9-13(12)15/h2-9,14,17H,1H3/t14-/m0/s1
InChIKeyBCVSUZQYMDXTIH-AWEZNQCLSA-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-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(2-chloro-4,5-difluorophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 107476209
1-(4-bromo-2-chlorophenyl)-N-methyl-1-phenylmethanamine
CID 43805215
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
1-(2-chloro-4-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482921
1-(2-chloro-4,5-dimethylphenyl)-1-(2-chloro-4-fluorophenyl)-N-methylmethanamine
CID 115483862
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755948
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377
1-(2-chloro-4-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962440
1-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 62791007
1-(2-chloro-4-fluorophenyl)-1-(2,5-dimethylthiophen-3-yl)-N-methylmethanamine
CID 43485300

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine (CID 51694296) is (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine is CN[C@@H](c1ccccc1)c1ccc(F)cc1Cl.
What is the InChIKey of (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
The InChIKey is BCVSUZQYMDXTIH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-17-14(10-5-3-2-4-6-10)12-8-7-11(16)9-13(12)15/h2-9,14,17H,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine?
(1S)-1-(2-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 (1S)-1-(2-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 51694296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).