(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride

C10H14Cl3NO — CID 171217462

IUPAC(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14;/h1,3-4,9,14H,2,5-6,13H2;1H/t9-;/m0./s1
InChIKeyGLHHMCMUYUYMQJ-FVGYRXGTSA-N
MW270.59 g/mol
LogP3.19
Rot. Bonds4

About (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride

(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride (PubChem CID 171217462) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
PubChem CID171217462
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC Name(4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCCO)c1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14;/h1,3-4,9,14H,2,5-6,13H2;1H/t9-;/m0./s1
InChIKeyGLHHMCMUYUYMQJ-FVGYRXGTSA-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

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Related Compounds

(4R)-4-amino-4-(2-chloro-6-fluorophenyl)butan-1-ol;hydrochloride
CID 171200181
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171219710
(1S)-1-(2,6-dichlorophenyl)butan-1-amine;hydrochloride
CID 171217430
1-(2,6-dichlorophenyl)heptan-1-amine
CID 115833237
(4S)-4-amino-4-(2,6-difluorophenyl)butan-1-ol
CID 102516083
1-(2,6-dichlorophenyl)hex-5-en-1-amine
CID 104986705
(3R)-3-amino-3-(2-chloro-6-methylphenyl)propan-1-ol
CID 55264930
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride?
The IUPAC name of (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride (CID 171217462) is (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride.
What is the SMILES notation for (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride?
The canonical SMILES for (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride is Cl.N[C@@H](CCCO)c1c(Cl)cccc1Cl.
What is the InChIKey of (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride?
The InChIKey is GLHHMCMUYUYMQJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13Cl2NO.ClH/c11-7-3-1-4-8(12)10(7)9(13)5-2-6-14;/h1,3-4,9,14H,2,5-6,13H2;1H/t9-;/m0./s1.
What are the key properties of (4S)-4-amino-4-(2,6-dichlorophenyl)butan-1-ol;hydrochloride?
(4S)-4-amino-4-(2,6-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-(2,6-dichlorophenyl)butan-1-ol;hydrochloride is sourced from PubChem (CID 171217462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).