(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine

C13H10BrClFN — CID 81454944

IUPAC(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cccc(F)c1Cl
InChIInChI=1S/C13H10BrClFN/c14-9-6-4-8(5-7-9)13(17)10-2-1-3-11(16)12(10)15/h1-7,13H,17H2
InChIKeyADPQXNKDXPSLAT-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.29
Rot. Bonds2

About (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine

(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine (PubChem CID 81454944) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
PubChem CID81454944
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name(4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine
SMILESNC(c1ccc(Br)cc1)c1cccc(F)c1Cl
InChIInChI=1S/C13H10BrClFN/c14-9-6-4-8(5-7-9)13(17)10-2-1-3-11(16)12(10)15/h1-7,13H,17H2
InChIKeyADPQXNKDXPSLAT-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

(2-chloro-3-fluorophenyl)-(4-chlorophenyl)methanamine
CID 81454943
(2-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 81454139
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 115801340
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(S)-(2-chloro-3-fluorophenyl)-thiophen-2-ylmethanamine
CID 171203052
(2-chloro-3-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023063
(2-chloro-3-fluorophenyl)-(3-propylphenyl)methanamine
CID 105050408
1-[3-bromo-2-(4-bromophenyl)propyl]-2-chloro-3-fluorobenzene
CID 112654920
(2-chloro-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990549

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine?
The IUPAC name of (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine (CID 81454944) is (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine is NC(c1ccc(Br)cc1)c1cccc(F)c1Cl.
What is the InChIKey of (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine?
The InChIKey is ADPQXNKDXPSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-9-6-4-8(5-7-9)13(17)10-2-1-3-11(16)12(10)15/h1-7,13H,17H2.
What are the key properties of (4-bromophenyl)-(2-chloro-3-fluorophenyl)methanamine?
(4-bromophenyl)-(2-chloro-3-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-3-fluorophenyl)methanamine is sourced from PubChem (CID 81454944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).