(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride

C11H18ClNO — CID 171270161

IUPAC(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
SMILESCCc1ccc([C@H](N)[C@@H](C)O)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-9-4-6-10(7-5-9)11(12)8(2)13;/h4-8,11,13H,3,12H2,1-2H3;1H/t8-,11-;/m1./s1
InChIKeyOGYYJCVPDJUKDY-JHQAJZDGSA-N
MW215.72 g/mol
LogP2.05
Rot. Bonds3

About (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride (PubChem CID 171270161) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
PubChem CID171270161
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
SMILESCCc1ccc([C@H](N)[C@@H](C)O)cc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-3-9-4-6-10(7-5-9)11(12)8(2)13;/h4-8,11,13H,3,12H2,1-2H3;1H/t8-,11-;/m1./s1
InChIKeyOGYYJCVPDJUKDY-JHQAJZDGSA-N
XLogP2.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride (CID 171270161) is (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride is CCc1ccc([C@H](N)[C@@H](C)O)cc1.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride?
The InChIKey is OGYYJCVPDJUKDY-JHQAJZDGSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-3-9-4-6-10(7-5-9)11(12)8(2)13;/h4-8,11,13H,3,12H2,1-2H3;1H/t8-,11-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 2.05, 3 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-ethylphenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171270161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).