(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride

C10H16ClNO — CID 171160087

IUPAC(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
SMILESCc1ccccc1[C@@H](N)[C@H](C)O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-5-3-4-6-9(7)10(11)8(2)12;/h3-6,8,10,12H,11H2,1-2H3;1H/t8-,10-;/m0./s1
InChIKeyCXCJSQMLLILJBC-GNAZCLTHSA-N
MW201.70 g/mol
LogP1.80
Rot. Bonds2

About (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride (PubChem CID 171160087) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
PubChem CID171160087
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
SMILESCc1ccccc1[C@@H](N)[C@H](C)O.Cl
InChIInChI=1S/C10H15NO.ClH/c1-7-5-3-4-6-9(7)10(11)8(2)12;/h3-6,8,10,12H,11H2,1-2H3;1H/t8-,10-;/m0./s1
InChIKeyCXCJSQMLLILJBC-GNAZCLTHSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
bis((1S)-1-(2-methylphenyl)ethanamine);dihydrochloride
CID 134129357
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
(2S,3R)-3-amino-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 124510338
(1S,2R)-1-amino-1-(4-methylnaphthalen-1-yl)propan-2-ol
CID 171269449

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride (CID 171160087) is (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride is Cc1ccccc1[C@@H](N)[C@H](C)O.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride?
The InChIKey is CXCJSQMLLILJBC-GNAZCLTHSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-7-5-3-4-6-9(7)10(11)8(2)12;/h3-6,8,10,12H,11H2,1-2H3;1H/t8-,10-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.80, 2 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-(2-methylphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171160087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).