(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride

C14H23Cl2NO — CID 171264584

IUPAC(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1[C@@H](N)[C@@H](O)CCC(C)C.Cl
InChIInChI=1S/C14H22ClNO.ClH/c1-9(2)4-7-13(17)14(16)12-6-5-11(15)8-10(12)3;/h5-6,8-9,13-14,17H,4,7,16H2,1-3H3;1H/t13-,14+;/m0./s1
InChIKeyZHHSYHOHIYTGAC-LMRHVHIWSA-N
MW292.25 g/mol
LogP3.87
Rot. Bonds5

About (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride (PubChem CID 171264584) has the molecular formula C14H23Cl2NO and a molecular weight of 292.25 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride
PubChem CID171264584
Molecular FormulaC14H23Cl2NO
Molecular Weight292.25 g/mol
Exact Mass291.12
IUPAC Name(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride
SMILESCc1cc(Cl)ccc1[C@@H](N)[C@@H](O)CCC(C)C.Cl
InChIInChI=1S/C14H22ClNO.ClH/c1-9(2)4-7-13(17)14(16)12-6-5-11(15)8-10(12)3;/h5-6,8-9,13-14,17H,4,7,16H2,1-3H3;1H/t13-,14+;/m0./s1
InChIKeyZHHSYHOHIYTGAC-LMRHVHIWSA-N
XLogP3.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(2-amino-5-chlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171265300
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171261683
(1S,2R)-1-amino-1-(2,5-dichlorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171267558
(1R,2S)-1-amino-1-(4-fluoro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171261573
(1R,2S)-1-amino-1-(4-fluoro-2-methylphenyl)-5-methylhexan-2-ol
CID 171261572
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1S,2R)-1-amino-1-(2-fluoro-4-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171267294
(1S,2R)-1-amino-1-(2-fluoro-5-methylphenyl)-5-methylhexan-2-ol
CID 171267862
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171262220
(1R)-1-(4-chloro-2-methylphenyl)-2-methylbutan-1-amine
CID 130804178
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705
(1R,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)-5-methylhexan-2-ol;hydrochloride
CID 171264116

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride (CID 171264584) is (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride is Cc1cc(Cl)ccc1[C@@H](N)[C@@H](O)CCC(C)C.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride?
The InChIKey is ZHHSYHOHIYTGAC-LMRHVHIWSA-N. The full InChI is InChI=1S/C14H22ClNO.ClH/c1-9(2)4-7-13(17)14(16)12-6-5-11(15)8-10(12)3;/h5-6,8-9,13-14,17H,4,7,16H2,1-3H3;1H/t13-,14+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride has a molecular weight of 292.25 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-chloro-2-methylphenyl)-5-methylhexan-2-ol;hydrochloride is sourced from PubChem (CID 171264584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).