(4-Bromophenyl)(phenyl)methanamine hydrochloride

C13H13BrClN — CID 21528791

IUPAC(4-bromophenyl)-phenylmethanamine;hydrochloride
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N.Cl
InChIInChI=1S/C13H12BrN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
InChIKeySZWHELGYDLPWLM-UHFFFAOYSA-N
MW298.60 g/mol
LogP—
Rot. Bonds2

About (4-Bromophenyl)(phenyl)methanamine hydrochloride

(4-Bromophenyl)(phenyl)methanamine hydrochloride (PubChem CID 21528791) has the molecular formula C13H13BrClN and a molecular weight of 298.60 g/mol. Its IUPAC name is (4-bromophenyl)-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name(4-Bromophenyl)(phenyl)methanamine hydrochloride
PubChem CID21528791
Molecular FormulaC13H13BrClN
Molecular Weight298.60 g/mol
Exact Mass296.99
IUPAC Name(4-bromophenyl)-phenylmethanamine;hydrochloride
SMILESC1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N.Cl
InChIInChI=1S/C13H12BrN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H
InChIKeySZWHELGYDLPWLM-UHFFFAOYSA-N
XLogP—
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity181

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Benzhydrylamine
CID 7036
4-Bromobenzylamine
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1-(4-Bromophenyl)ethylamine
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Benzenemethanamine, 3-bromo-
CID 457587
4-Bromo-alpha-methylbenzeneethanamine
CID 205668
2-Bromobenzylamine
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p-Bromophenethylamine
CID 533915
(4-Bromo-2-fluorophenyl)methanamine
CID 3770848
3-Bromobenzylamine hydrochloride
CID 2724980
1,2-Diphenylethan-1-amine hydrochloride
CID 91161
rac-(1R,2S)-2-(4-bromophenyl)cyclopropan-1-amine hydrochloride
CID 56683886
Benzhydrylammonium chloride
CID 78921

Frequently Asked Questions

What is the IUPAC name of (4-Bromophenyl)(phenyl)methanamine hydrochloride?
The IUPAC name of (4-Bromophenyl)(phenyl)methanamine hydrochloride (CID 21528791) is (4-bromophenyl)-phenylmethanamine;hydrochloride.
What is the SMILES notation for (4-Bromophenyl)(phenyl)methanamine hydrochloride?
The canonical SMILES for (4-Bromophenyl)(phenyl)methanamine hydrochloride is C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)N.Cl.
What is the InChIKey of (4-Bromophenyl)(phenyl)methanamine hydrochloride?
The InChIKey is SZWHELGYDLPWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H.
What are the key properties of (4-Bromophenyl)(phenyl)methanamine hydrochloride?
(4-Bromophenyl)(phenyl)methanamine hydrochloride has a molecular weight of 298.60 g/mol, XLogP of not available, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-Bromophenyl)(phenyl)methanamine hydrochloride is sourced from PubChem (CID 21528791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).