(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride

C10H14BrCl2NO — CID 171203024

IUPAC(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO.ClH/c11-8-6-7(3-4-9(8)12)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m1./s1
InChIKeyVRHBFKKRPUJZGB-HNCPQSOCSA-N
MW315.04 g/mol
LogP3.30
Rot. Bonds4

About (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride

(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride (PubChem CID 171203024) has the molecular formula C10H14BrCl2NO and a molecular weight of 315.04 g/mol. Its IUPAC name is (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
PubChem CID171203024
Molecular FormulaC10H14BrCl2NO
Molecular Weight315.04 g/mol
Exact Mass312.96
IUPAC Name(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CCCO)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H13BrClNO.ClH/c11-8-6-7(3-4-9(8)12)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m1./s1
InChIKeyVRHBFKKRPUJZGB-HNCPQSOCSA-N
XLogP3.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.04
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(3-bromo-4-chlorophenyl)butane-1,4-diamine;hydrochloride
CID 171202987
(1S)-1-(3-bromo-4-chlorophenyl)hexan-1-amine;hydrochloride
CID 171222559
(1S)-1-(3-bromo-4-chlorophenyl)pentan-1-amine
CID 171222556
1-(3-bromo-4-chlorophenyl)octan-1-amine
CID 115566673
1-(3-bromo-4-chlorophenyl)heptan-1-amine
CID 115566954
(4S)-4-amino-4-(4-chloro-3-methoxyphenyl)butan-1-ol;hydrochloride
CID 171230755
(4R)-4-amino-4-(3-chloro-4-methylphenyl)butan-1-ol
CID 171204447
(4S)-4-amino-4-(3-chloro-4-fluorophenyl)butan-1-ol
CID 171220953
(3R)-3-amino-3-(3-bromo-4-chlorophenyl)propanamide
CID 83230219
amino-(3-bromo-4-chlorophenyl)methanol
CID 141216325
3-amino-3-(4-chloro-3-fluorophenyl)propan-1-ol;hydrochloride
CID 170874594
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride (CID 171203024) is (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride is Cl.N[C@H](CCCO)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride?
The InChIKey is VRHBFKKRPUJZGB-HNCPQSOCSA-N. The full InChI is InChI=1S/C10H13BrClNO.ClH/c11-8-6-7(3-4-9(8)12)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m1./s1.
What are the key properties of (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride?
(4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride has a molecular weight of 315.04 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(3-bromo-4-chlorophenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171203024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).