(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride

C14H24ClNO2 — CID 171265096

IUPAC(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C(C)(C)C)cc1C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-9-8-10(6-7-11(9)17-5)12(15)13(16)14(2,3)4;/h6-8,12-13,16H,15H2,1-5H3;1H/t12-,13-;/m1./s1
InChIKeyPZLVUQXGCHCAGS-OJERSXHUSA-N
MW273.80 g/mol
LogP2.83
Rot. Bonds3

About (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride (PubChem CID 171265096) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
PubChem CID171265096
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)[C@@H](O)C(C)(C)C)cc1C.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-9-8-10(6-7-11(9)17-5)12(15)13(16)14(2,3)4;/h6-8,12-13,16H,15H2,1-5H3;1H/t12-,13-;/m1./s1
InChIKeyPZLVUQXGCHCAGS-OJERSXHUSA-N
XLogP2.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 43379636
(1S,2R)-1-amino-1-(4-chloro-3-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171270141
(1R,2S)-1-amino-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)butan-2-ol
CID 171160835
(1S)-1-(4-methoxy-3-methylphenyl)ethanol
CID 39236071
(1S)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171233342
(1R)-1-(4-methoxy-3-methylphenyl)-2-methylbutan-1-amine
CID 171213719
(4-tert-butylphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080698
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3,3-dimethylbutan-2-ol;hydrochloride
CID 171263557
tert-butyl 3-hydroxy-3-(4-methoxy-3-methylphenyl)-2-methylpropanoate
CID 66338003
(1S,2R)-1-amino-1-(4-methoxy-3-methylphenyl)hexan-2-ol
CID 171270776
1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-1-amine
CID 43379716

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride (CID 171265096) is (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride is COc1ccc([C@@H](N)[C@@H](O)C(C)(C)C)cc1C.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride?
The InChIKey is PZLVUQXGCHCAGS-OJERSXHUSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-9-8-10(6-7-11(9)17-5)12(15)13(16)14(2,3)4;/h6-8,12-13,16H,15H2,1-5H3;1H/t12-,13-;/m1./s1.
What are the key properties of (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)-3,3-dimethylbutan-2-ol;hydrochloride is sourced from PubChem (CID 171265096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).