(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride

C10H15BrClNO — CID 171217585

IUPAC(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccccc1Br
InChIInChI=1S/C10H14BrNO.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-13;/h1-2,4-5,10,13H,3,6-7,12H2;1H/t10-;/m0./s1
InChIKeyDZBCYVIMLNWYCN-PPHPATTJSA-N
MW280.59 g/mol
LogP2.64
Rot. Bonds4

About (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride

(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride (PubChem CID 171217585) has the molecular formula C10H15BrClNO and a molecular weight of 280.59 g/mol. Its IUPAC name is (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
PubChem CID171217585
Molecular FormulaC10H15BrClNO
Molecular Weight280.59 g/mol
Exact Mass279.00
IUPAC Name(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccccc1Br
InChIInChI=1S/C10H14BrNO.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-13;/h1-2,4-5,10,13H,3,6-7,12H2;1H/t10-;/m0./s1
InChIKeyDZBCYVIMLNWYCN-PPHPATTJSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
(4S)-4-amino-4-(2-methylphenyl)butan-1-ol;hydrochloride
CID 171229471
1-(2-bromophenyl)hexan-1-amine
CID 62604682
(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329
(4R)-4-amino-4-(2-bromo-3-pyridinyl)butan-1-ol
CID 171203504
3-[(1S)-1-amino-4-hydroxybutyl]benzene-1,2-diol
CID 171220556
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
2-[(1S)-1-amino-4-hydroxybutyl]benzonitrile
CID 171221617
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
CID 171197693
2-[[3-amino-3-(2-bromophenyl)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486461
(4S)-4-amino-4-[2-bromo-5-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226799
2-[[3-amino-3-(2-bromophenyl)propyl]-methylamino]propan-1-ol
CID 104554558

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride (CID 171217585) is (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride is Cl.N[C@@H](CCCO)c1ccccc1Br.
What is the InChIKey of (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride?
The InChIKey is DZBCYVIMLNWYCN-PPHPATTJSA-N. The full InChI is InChI=1S/C10H14BrNO.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-13;/h1-2,4-5,10,13H,3,6-7,12H2;1H/t10-;/m0./s1.
What are the key properties of (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride?
(4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride has a molecular weight of 280.59 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-(2-bromophenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171217585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).