1-(3-bromophenyl)butan-2-amine;hydrochloride

C10H15BrClN — CID 170888459

IUPAC1-(3-bromophenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C10H14BrN.ClH/c1-2-10(12)7-8-4-3-5-9(11)6-8;/h3-6,10H,2,7,12H2,1H3;1H
InChIKeyPNBDDBDYTCGUBA-UHFFFAOYSA-N
MW264.59 g/mol
LogP3.15
Rot. Bonds3

About 1-(3-bromophenyl)butan-2-amine;hydrochloride

1-(3-bromophenyl)butan-2-amine;hydrochloride (PubChem CID 170888459) has the molecular formula C10H15BrClN and a molecular weight of 264.59 g/mol. Its IUPAC name is 1-(3-bromophenyl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)butan-2-amine;hydrochloride
PubChem CID170888459
Molecular FormulaC10H15BrClN
Molecular Weight264.59 g/mol
Exact Mass263.01
IUPAC Name1-(3-bromophenyl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C10H14BrN.ClH/c1-2-10(12)7-8-4-3-5-9(11)6-8;/h3-6,10H,2,7,12H2,1H3;1H
InChIKeyPNBDDBDYTCGUBA-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 178200029
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66399282
1-(3-bromophenyl)-5,5-dimethylhexan-2-amine
CID 62601843
1-[4-(3-bromophenyl)sulfanyl-3-methylphenyl]butan-2-amine
CID 63819363
1-bromo-3-[2-(bromomethyl)butyl]benzene
CID 66041649
1-bromo-3-[2-[1-(3-bromophenyl)butan-2-yloxy]butyl]benzene
CID 67313726
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
1-[3-(4-bromo-2-chlorophenoxy)phenyl]butan-2-amine
CID 63942550
5-(3-bromophenyl)-4-methylpentan-2-amine
CID 64719403
1-[3-(4-bromopyrazol-1-yl)phenyl]butan-2-amine
CID 63943513
1-[4-(3-bromophenoxy)-3,5-difluorophenyl]butan-2-amine
CID 63802603
2-(3-bromophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66476339

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)butan-2-amine;hydrochloride (CID 170888459) is 1-(3-bromophenyl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)butan-2-amine;hydrochloride is CCC(N)Cc1cccc(Br)c1.Cl.
What is the InChIKey of 1-(3-bromophenyl)butan-2-amine;hydrochloride?
The InChIKey is PNBDDBDYTCGUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN.ClH/c1-2-10(12)7-8-4-3-5-9(11)6-8;/h3-6,10H,2,7,12H2,1H3;1H.
What are the key properties of 1-(3-bromophenyl)butan-2-amine;hydrochloride?
1-(3-bromophenyl)butan-2-amine;hydrochloride has a molecular weight of 264.59 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170888459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).