(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride

C16H28ClNO — CID 171162521

IUPAC(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)C[C@@H](O)[C@@H](N)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-11(2)10-14(18)15(17)12-6-8-13(9-7-12)16(3,4)5;/h6-9,11,14-15,18H,10,17H2,1-5H3;1H/t14-,15+;/m1./s1
InChIKeyOEOHKWIPUZXIIT-LIOBNPLQSA-N
MW285.86 g/mol
LogP3.81
Rot. Bonds4

About (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride (PubChem CID 171162521) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride
PubChem CID171162521
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)C[C@@H](O)[C@@H](N)c1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-11(2)10-14(18)15(17)12-6-8-13(9-7-12)16(3,4)5;/h6-9,11,14-15,18H,10,17H2,1-5H3;1H/t14-,15+;/m1./s1
InChIKeyOEOHKWIPUZXIIT-LIOBNPLQSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
4-[(1S,2R)-1-amino-2-hydroxy-4-methylpentyl]benzene-1,2-diol;hydrochloride
CID 171162088
4-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160620
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579
(2S,3R,4S)-2-amino-1-(4-tert-butylphenyl)-6-methylheptane-3,4-diol
CID 57286742
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
1-(4-tert-butylphenyl)propane-1,2-diamine
CID 20546388
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3,3-dimethylbutan-2-ol
CID 171161092
(1S)-1-(4-tert-butylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171246982
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylpentan-2-ol;hydrochloride
CID 171161307
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride (CID 171162521) is (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride is CC(C)C[C@@H](O)[C@@H](N)c1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride?
The InChIKey is OEOHKWIPUZXIIT-LIOBNPLQSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-11(2)10-14(18)15(17)12-6-8-13(9-7-12)16(3,4)5;/h6-9,11,14-15,18H,10,17H2,1-5H3;1H/t14-,15+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-tert-butylphenyl)-4-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 171162521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).