(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine

C14H12BrClFN — CID 81045269

IUPAC(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(Br)c2)c(Cl)cc1F
InChIInChI=1S/C14H12BrClFN/c1-8-5-11(12(16)7-13(8)17)14(18)9-3-2-4-10(15)6-9/h2-7,14H,18H2,1H3
InChIKeyOHYADMXSCWVJMO-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.60
Rot. Bonds2

About (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine

(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine (PubChem CID 81045269) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
PubChem CID81045269
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name(3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cccc(Br)c2)c(Cl)cc1F
InChIInChI=1S/C14H12BrClFN/c1-8-5-11(12(16)7-13(8)17)14(18)9-3-2-4-10(15)6-9/h2-7,14H,18H2,1H3
InChIKeyOHYADMXSCWVJMO-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

(2-chloro-4-fluoro-5-methylphenyl)-(3-chlorophenyl)methanamine
CID 81045120
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050980
(2-bromo-3-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483655
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine (CID 81045269) is (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2cccc(Br)c2)c(Cl)cc1F.
What is the InChIKey of (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The InChIKey is OHYADMXSCWVJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-8-5-11(12(16)7-13(8)17)14(18)9-3-2-4-10(15)6-9/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
(3-bromophenyl)-(2-chloro-4-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-bromophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 81045269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).