(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine

C14H13ClFN — CID 62789986

IUPAC(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClFN/c1-9-5-6-13(16)12(7-9)14(17)10-3-2-4-11(15)8-10/h2-8,14H,17H2,1H3
InChIKeyNHPRRJGYGBJORP-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.84
Rot. Bonds2

About (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine

(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 62789986) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID62789986
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cccc(Cl)c2)c1
InChIInChI=1S/C14H13ClFN/c1-9-5-6-13(16)12(7-9)14(17)10-3-2-4-11(15)8-10/h2-8,14H,17H2,1H3
InChIKeyNHPRRJGYGBJORP-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-5-methylphenyl)-(3-iodophenyl)methanamine
CID 115852651
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
3-[amino-(5-chloro-2-fluorophenyl)methyl]aniline
CID 116936598
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
3-[amino-(5-chloro-2-fluorophenyl)methyl]-N-methylaniline
CID 116936695
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine (CID 62789986) is (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2cccc(Cl)c2)c1.
What is the InChIKey of (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is NHPRRJGYGBJORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-9-5-6-13(16)12(7-9)14(17)10-3-2-4-11(15)8-10/h2-8,14H,17H2,1H3.
What are the key properties of (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 249.72 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 62789986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).