(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine

C13H10BrClFN — CID 115827987

IUPAC(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClFN/c14-8-5-6-9(11(15)7-8)13(17)10-3-1-2-4-12(10)16/h1-7,13H,17H2
InChIKeyQKSLLTLXBQDNPQ-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.29
Rot. Bonds2

About (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine

(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine (PubChem CID 115827987) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
PubChem CID115827987
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name(4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H10BrClFN/c14-8-5-6-9(11(15)7-8)13(17)10-3-1-2-4-12(10)16/h1-7,13H,17H2
InChIKeyQKSLLTLXBQDNPQ-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

(4-bromo-2-chlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43805150
2-(4-bromo-2-chlorophenyl)-1-(2-fluorophenyl)ethanamine
CID 113471264
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methanamine
CID 62945856
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(2-bromo-3,4-difluorophenyl)-(2-chlorophenyl)methanamine
CID 107538716
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine (CID 115827987) is (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine is NC(c1ccccc1F)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine?
The InChIKey is QKSLLTLXBQDNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-8-5-6-9(11(15)7-8)13(17)10-3-1-2-4-12(10)16/h1-7,13H,17H2.
What are the key properties of (4-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine?
(4-bromo-2-chlorophenyl)-(2-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-bromo-2-chlorophenyl)-(2-fluorophenyl)methanamine is sourced from PubChem (CID 115827987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).