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

C13H10BrClFN — CID 43378901

IUPAC(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H10BrClFN/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2
InChIKeyGKLMRTLIHFGQRQ-UHFFFAOYSA-N
MW314.59 g/mol
LogP4.29
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine

(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine (PubChem CID 43378901) has the molecular formula C13H10BrClFN and a molecular weight of 314.59 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine
PubChem CID43378901
Molecular FormulaC13H10BrClFN
Molecular Weight314.59 g/mol
Exact Mass312.97
IUPAC Name(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine
SMILESNC(c1ccc(F)cc1)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H10BrClFN/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2
InChIKeyGKLMRTLIHFGQRQ-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

(5-Bromo-2-chlorophenyl)methanamine
CID 43378979
(5-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 67437601
5-[(5-Bromo-2-chlorophenyl)methyl]-4-fluoro-1,2,3,6-tetrahydropyridine;hydrochloride
CID 45264323
(2-Chlorophenyl)(2,5-difluorophenyl)methanamine hydrochloride
CID 54595527
1-(5-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 122360018
(2-Chlorophenyl)(4-fluorophenyl)methanamine
CID 24688739
1-(2-Bromophenyl)-2-(2-chloro-6-fluorophenyl)ethan-1-amine
CID 54594869
(3-Bromophenyl)(3-fluorophenyl)methanamine
CID 60819846
3-(3-Bromo-5-fluorophenyl)-4-(4-chlorophenyl)butan-2-amine
CID 22270718
2-(2-Chloro-6-fluorophenyl)-1-phenylethanamine
CID 24258482
(2S)-3-(3-bromophenyl)-4-(4-chlorophenyl)-3-fluorobutan-2-amine
CID 59682348
(2R)-1-(3-bromo-4-fluorophenyl)-2-(4-chloro-3-methylphenyl)butan-1-amine
CID 67537218

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine?
The IUPAC name of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine (CID 43378901) is (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine is NC(c1ccc(F)cc1)c1cc(Br)ccc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine?
The InChIKey is GKLMRTLIHFGQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFN/c14-9-3-6-12(15)11(7-9)13(17)8-1-4-10(16)5-2-8/h1-7,13H,17H2.
What are the key properties of (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine?
(5-bromo-2-chlorophenyl)-(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 (5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanamine is sourced from PubChem (CID 43378901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).