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

C14H12BrClFN — CID 114019265

IUPAC(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H12BrClFN/c1-8-2-3-13(17)12(4-8)14(18)9-5-10(15)7-11(16)6-9/h2-7,14H,18H2,1H3
InChIKeyNPLZMVDHLINOAZ-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.60
Rot. Bonds2

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

(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine (PubChem CID 114019265) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
PubChem CID114019265
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2cc(Cl)cc(Br)c2)c1
InChIInChI=1S/C14H12BrClFN/c1-8-2-3-13(17)12(4-8)14(18)9-5-10(15)7-11(16)6-9/h2-7,14H,18H2,1H3
InChIKeyNPLZMVDHLINOAZ-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.61
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(2-fluoro-5-methylphenyl)-(4-propan-2-ylphenyl)methanamine
CID 62514124
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 104851342
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105398591
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107950523
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
4-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105143249

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine (CID 114019265) is (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2cc(Cl)cc(Br)c2)c1.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
The InChIKey is NPLZMVDHLINOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-8-2-3-13(17)12(4-8)14(18)9-5-10(15)7-11(16)6-9/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine?
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine has a molecular weight of 328.61 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 114019265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).