[2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride

C13H12BrCl2N — CID 170457563

IUPAC[2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1-c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H11BrClN.ClH/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16;/h1-7H,8,16H2;1H
InChIKeyOIXLHCNBFGGUIU-UHFFFAOYSA-N
MW333.06 g/mol
LogP4.65
Rot. Bonds2

About [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride

[2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride (PubChem CID 170457563) has the molecular formula C13H12BrCl2N and a molecular weight of 333.06 g/mol. Its IUPAC name is [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride
PubChem CID170457563
Molecular FormulaC13H12BrCl2N
Molecular Weight333.06 g/mol
Exact Mass330.95
IUPAC Name[2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccccc1-c1cc(Cl)cc(Br)c1
InChIInChI=1S/C13H11BrClN.ClH/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16;/h1-7H,8,16H2;1H
InChIKeyOIXLHCNBFGGUIU-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-3-chloro-5-(2-ethynylphenyl)benzene
CID 170457562
[2-[2-(aminomethyl)-4-chlorophenyl]phenyl]methanamine
CID 143648199
1-bromo-3-chloro-5-(2,3-dimethylphenyl)benzene
CID 164892523
2-[2-(3-chlorophenyl)phenyl]ethanamine;hydrochloride
CID 164885899
[2-(3-chloro-4-methylphenyl)phenyl]methanamine
CID 115504087
[2-(3-amino-5-chlorophenyl)phenyl]methanol
CID 89253488
ethane;(2-phenylphenyl)methanamine
CID 142592948
[2-(3,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729193
3-bromo-5-[2-(hydroxymethyl)phenyl]phenol
CID 53221767
5-(3-bromo-5-chlorophenyl)-4-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 107954780
1-bromo-3-(4-bromophenyl)-5-chlorobenzene
CID 134275306
3-(3-bromo-5-chlorophenyl)-9,9'-spirobi[fluorene]
CID 165158290

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride (CID 170457563) is [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride is Cl.NCc1ccccc1-c1cc(Cl)cc(Br)c1.
What is the InChIKey of [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride?
The InChIKey is OIXLHCNBFGGUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN.ClH/c14-11-5-10(6-12(15)7-11)13-4-2-1-3-9(13)8-16;/h1-7H,8,16H2;1H.
What are the key properties of [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride?
[2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride has a molecular weight of 333.06 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromo-5-chlorophenyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 170457563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).