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

C14H12BrClFN — CID 106648243

IUPAC(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(Br)c2F)c1Cl
InChIInChI=1S/C14H12BrClFN/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14H,18H2,1H3
InChIKeyYIPRWPYJJRJEJV-UHFFFAOYSA-N
MW328.61 g/mol
LogP4.60
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine (PubChem CID 106648243) has the molecular formula C14H12BrClFN and a molecular weight of 328.61 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
PubChem CID106648243
Molecular FormulaC14H12BrClFN
Molecular Weight328.61 g/mol
Exact Mass326.98
IUPAC Name(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
SMILESCc1cccc(C(N)c2cccc(Br)c2F)c1Cl
InChIInChI=1S/C14H12BrClFN/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14H,18H2,1H3
InChIKeyYIPRWPYJJRJEJV-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-2-fluorophenyl)-(2,3-dichlorophenyl)methanamine
CID 106648113
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(4-bromo-3-chloro-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 106764463
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(2-chloro-3-methylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106883863

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine (CID 106648243) is (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine is Cc1cccc(C(N)c2cccc(Br)c2F)c1Cl.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine?
The InChIKey is YIPRWPYJJRJEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFN/c1-8-4-2-5-9(12(8)16)14(18)10-6-3-7-11(15)13(10)17/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine?
(3-bromo-2-fluorophenyl)-(2-chloro-3-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-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine is sourced from PubChem (CID 106648243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).