(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine

C14H11BrClF2N — CID 81045501

IUPAC(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Br)c(Cl)cc1F
InChIInChI=1S/C14H11BrClF2N/c1-7-4-10(12(16)6-13(7)18)14(19)9-5-8(17)2-3-11(9)15/h2-6,14H,19H2,1H3
InChIKeyBQVOUTLBXHOBMS-UHFFFAOYSA-N
MW346.60 g/mol
LogP4.74
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine

(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine (PubChem CID 81045501) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
PubChem CID81045501
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Br)c(Cl)cc1F
InChIInChI=1S/C14H11BrClF2N/c1-7-4-10(12(16)6-13(7)18)14(19)9-5-8(17)2-3-11(9)15/h2-6,14H,19H2,1H3
InChIKeyBQVOUTLBXHOBMS-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(2-bromofuran-3-yl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 106851898
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903
(2-chloro-4-fluoro-5-methylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106861126
1-[(2-bromo-4-fluorophenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81051365
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(2-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanol
CID 81045240
(2-chloro-4-fluoro-5-methylphenyl)-(2,3-difluorophenyl)methanamine
CID 81044973

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine (CID 81045501) is (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2cc(F)ccc2Br)c(Cl)cc1F.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
The InChIKey is BQVOUTLBXHOBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-7-4-10(12(16)6-13(7)18)14(19)9-5-8(17)2-3-11(9)15/h2-6,14H,19H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine?
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine has a molecular weight of 346.60 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 81045501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).