(2-bromo-6-phenylphenyl)methanamine

C13H12BrN — CID 10706574

IUPAC(2-bromo-6-phenylphenyl)methanamine
SMILESNCc1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C13H12BrN/c14-13-8-4-7-11(12(13)9-15)10-5-2-1-3-6-10/h1-8H,9,15H2
InChIKeyDWENXZSAUPWDTL-UHFFFAOYSA-N
MW262.15 g/mol
LogP3.57
Rot. Bonds2

About (2-bromo-6-phenylphenyl)methanamine

(2-bromo-6-phenylphenyl)methanamine (PubChem CID 10706574) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is (2-bromo-6-phenylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-6-phenylphenyl)methanamine
PubChem CID10706574
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name(2-bromo-6-phenylphenyl)methanamine
SMILESNCc1c(Br)cccc1-c1ccccc1
InChIInChI=1S/C13H12BrN/c14-13-8-4-7-11(12(13)9-15)10-5-2-1-3-6-10/h1-8H,9,15H2
InChIKeyDWENXZSAUPWDTL-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzenemethanamine, 3-bromo-
CID 457587
1-Biphenyl-2-ylmethanamine
CID 263366
2-Bromobenzylamine
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2-Bromophenethylamine
CID 2734091
3-Bromophenethylamine
CID 7021736
3-Bromobenzylamine hydrochloride
CID 2724980
1-(2-Bromophenyl)methanamine hydrochloride
CID 2724202
2-(4-Bromophenyl)-2-phenylethanamine
CID 25139019
(S)-1-(3-bromophenyl)ethanamine
CID 9952938
N-benzyl-1-(3-bromophenyl)methanamine
CID 2756617
(R)-1-(3-bromophenyl)ethanamine
CID 22831503
C-(2-Bromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)-methylamine
CID 10063462

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-phenylphenyl)methanamine?
The IUPAC name of (2-bromo-6-phenylphenyl)methanamine (CID 10706574) is (2-bromo-6-phenylphenyl)methanamine.
What is the SMILES notation for (2-bromo-6-phenylphenyl)methanamine?
The canonical SMILES for (2-bromo-6-phenylphenyl)methanamine is NCc1c(Br)cccc1-c1ccccc1.
What is the InChIKey of (2-bromo-6-phenylphenyl)methanamine?
The InChIKey is DWENXZSAUPWDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c14-13-8-4-7-11(12(13)9-15)10-5-2-1-3-6-10/h1-8H,9,15H2.
What are the key properties of (2-bromo-6-phenylphenyl)methanamine?
(2-bromo-6-phenylphenyl)methanamine has a molecular weight of 262.15 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-phenylphenyl)methanamine is sourced from PubChem (CID 10706574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).