(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine

C14H12BrClFN — CID 105011988

IUPAC(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cc(Br)ccc2F)c1
InChIInChI=1S/C14H12BrClFN/c1-8-4-9(6-11(16)5-8)14(18)12-7-10(15)2-3-13(12)17/h2-7,14H,18H2,1H3
InChIKeyUZXYPKKGUVDCJE-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.60
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine

(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine (PubChem CID 105011988) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
PubChem CID105011988
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cc(Br)ccc2F)c1
InChIInChI=1S/C14H12BrClFN/c1-8-4-9(6-11(16)5-8)14(18)12-7-10(15)2-3-13(12)17/h2-7,14H,18H2,1H3
InChIKeyUZXYPKKGUVDCJE-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

(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 104851342
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105398591
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
4-[amino-(5-bromo-2-fluorophenyl)methyl]-N,N-dimethylaniline
CID 105167442
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(5-bromofuran-2-yl)-(3-chloro-5-methylphenyl)methanamine
CID 81322931

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine (CID 105011988) is (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine is Cc1cc(Cl)cc(C(N)c2cc(Br)ccc2F)c1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine?
The InChIKey is UZXYPKKGUVDCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-8-4-9(6-11(16)5-8)14(18)12-7-10(15)2-3-13(12)17/h2-7,14H,18H2,1H3.
What are the key properties of (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine?
(5-bromo-2-fluorophenyl)-(3-chloro-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 (5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine is sourced from PubChem (CID 105011988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).