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

C10H14Cl3NO — CID 171232170

IUPAC(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c11-7-3-4-8(9(12)6-7)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m0./s1
InChIKeyCBNXJNLIOFPIDW-PPHPATTJSA-N
MW270.59 g/mol
LogP3.19
Rot. Bonds4

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

(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride (PubChem CID 171232170) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
PubChem CID171232170
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC Name(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c11-7-3-4-8(9(12)6-7)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m0./s1
InChIKeyCBNXJNLIOFPIDW-PPHPATTJSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S)-4-amino-4-(2,4-dichlorophenyl)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-(2,4-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171212529
(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
(4R)-4-amino-4-[2-chloro-4-(dimethylamino)phenyl]butan-1-ol;hydrochloride
CID 171212662
2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
(1R)-1-(2,4-dichlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171212560
6-amino-6-(2,4-dichlorophenyl)hexanamide
CID 61271207
(1S)-1-(2,4-dichlorophenyl)-3-fluoropropan-1-amine
CID 131303992
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dichlorophenol
CID 171197734
1-(2,4-dichlorophenyl)-4-phenoxybutan-1-amine
CID 84752996
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923
(4S)-4-amino-4-(5-chloro-2-nitrophenyl)butan-1-ol
CID 171225999

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride (CID 171232170) is (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride is Cl.N[C@@H](CCCO)c1ccc(Cl)cc1Cl.
What is the InChIKey of (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride?
The InChIKey is CBNXJNLIOFPIDW-PPHPATTJSA-N. The full InChI is InChI=1S/C10H13Cl2NO.ClH/c11-7-3-4-8(9(12)6-7)10(13)2-1-5-14;/h3-4,6,10,14H,1-2,5,13H2;1H/t10-;/m0./s1.
What are the key properties of (4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride?
(4S)-4-amino-4-(2,4-dichlorophenyl)butan-1-ol;hydrochloride has a molecular weight of 270.59 g/mol, XLogP of 3.19, 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-(2,4-dichlorophenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171232170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).