(4-bromo-2-fluorophenyl)-phenylmethanamine

C13H11BrFN — CID 24690813

IUPAC(4-bromo-2-fluorophenyl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFN/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2
InChIKeyYYVCIDGLFCZXAV-UHFFFAOYSA-N
MW280.14 g/mol
LogP3.64
Rot. Bonds2

About (4-bromo-2-fluorophenyl)-phenylmethanamine

(4-bromo-2-fluorophenyl)-phenylmethanamine (PubChem CID 24690813) has the molecular formula C13H11BrFN and a molecular weight of 280.14 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-phenylmethanamine.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-phenylmethanamine
PubChem CID24690813
Molecular FormulaC13H11BrFN
Molecular Weight280.14 g/mol
Exact Mass279.01
IUPAC Name(4-bromo-2-fluorophenyl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ccc(Br)cc1F
InChIInChI=1S/C13H11BrFN/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2
InChIKeyYYVCIDGLFCZXAV-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-alpha-methylbenzeneethanamine
CID 205668
4-Bromobenzylamine
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1-(4-Bromophenyl)ethylamine
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(2-Bromo-5-fluorophenyl)methanamine
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p-Bromophenethylamine
CID 533915
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848
(R)-4-bromo-alpha-methylbenzylamine
CID 853000
4-Bromobenzylamine hydrochloride
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N-(3-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834406
2-(4-Bromophenyl)-2-phenylethanamine
CID 25139019
trans-(1S,2R)-2-(4-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 124596247
N-(4-bromobenzyl)-N-(4-fluorobenzyl)amine
CID 834418

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-phenylmethanamine?
The IUPAC name of (4-bromo-2-fluorophenyl)-phenylmethanamine (CID 24690813) is (4-bromo-2-fluorophenyl)-phenylmethanamine.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-phenylmethanamine?
The canonical SMILES for (4-bromo-2-fluorophenyl)-phenylmethanamine is NC(c1ccccc1)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-phenylmethanamine?
The InChIKey is YYVCIDGLFCZXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFN/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,13H,16H2.
What are the key properties of (4-bromo-2-fluorophenyl)-phenylmethanamine?
(4-bromo-2-fluorophenyl)-phenylmethanamine has a molecular weight of 280.14 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-phenylmethanamine is sourced from PubChem (CID 24690813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).