(4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine

C13H10BrClFN — CID 24693084

IUPAC(4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H10BrClFN/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7,13H,17H2
InChIKeyKBNKPKOKPRSAQS-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.29
Rot. Bonds2

About (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine

(4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine (PubChem CID 24693084) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine
PubChem CID24693084
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name(4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1ccc(F)cc1Cl
InChIInChI=1S/C13H10BrClFN/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7,13H,17H2
InChIKeyKBNKPKOKPRSAQS-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.59
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168280482
cis-(1R,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168292181
(R)-1-(4-bromophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 44561008
(2-Chloro-4-fluorophenyl)(4-methylphenyl)methanamine
CID 43184900
(4-Chlorophenyl)(4-fluorophenyl)methanamine
CID 4455529
(4-Bromophenyl)(phenyl)methanamine hydrochloride
CID 21528791
(4-Chlorophenyl)(3-fluorophenyl)methanamine
CID 24688612
(4-Chlorophenyl)(2-fluorophenyl)methanamine
CID 24689178
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine (CID 24693084) is (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine is NC(c1ccc(Br)cc1)c1ccc(F)cc1Cl.
What is the InChIKey of (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine?
The InChIKey is KBNKPKOKPRSAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(16)7-12(11)15/h1-7,13H,17H2.
What are the key properties of (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine?
(4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine has a molecular weight of 314.59 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(2-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 24693084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).