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

C14H12BrClFN — CID 114027043

IUPAC(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrClFN/c1-8-2-4-10(17)7-11(8)14(18)12-6-9(16)3-5-13(12)15/h2-7,14H,18H2,1H3
InChIKeyCEHWZDVORHFWRP-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.60
Rot. Bonds2

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

(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 114027043) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID114027043
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cc(Cl)ccc1Br
InChIInChI=1S/C14H12BrClFN/c1-8-2-4-10(17)7-11(8)14(18)12-6-9(16)3-5-13(12)15/h2-7,14H,18H2,1H3
InChIKeyCEHWZDVORHFWRP-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

(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
[2-(2-bromo-5-fluorophenyl)-1-(5-chloro-2-methylphenyl)ethyl]hydrazine
CID 105297127
(4-chloro-2-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 114027936
(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 105142450

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 114027043) is (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)c1cc(Cl)ccc1Br.
What is the InChIKey of (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is CEHWZDVORHFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-8-2-4-10(17)7-11(8)14(18)12-6-9(16)3-5-13(12)15/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine?
(2-bromo-5-chlorophenyl)-(5-fluoro-2-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 (2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 114027043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).