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

C11H17NO — CID 93284110

IUPAC(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc([C@@H](N)[C@@H](C)O)cc1
InChIInChI=1S/C11H17NO/c1-3-9-4-6-10(7-5-9)11(12)8(2)13/h4-8,11,13H,3,12H2,1-2H3/t8-,11+/m1/s1
InChIKeyFLLQNJUBTZDIBV-KCJUWKMLSA-N
MW179.26 g/mol
LogP1.63
Rot. Bonds3

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

(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol (PubChem CID 93284110) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
PubChem CID93284110
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
SMILESCCc1ccc([C@@H](N)[C@@H](C)O)cc1
InChIInChI=1S/C11H17NO/c1-3-9-4-6-10(7-5-9)11(12)8(2)13/h4-8,11,13H,3,12H2,1-2H3/t8-,11+/m1/s1
InChIKeyFLLQNJUBTZDIBV-KCJUWKMLSA-N
XLogP1.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
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
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
1-amino-1-(4-sulfanylphenyl)propan-2-ol
CID 55292846
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol?
The IUPAC name of (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol (CID 93284110) is (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol is CCc1ccc([C@@H](N)[C@@H](C)O)cc1.
What is the InChIKey of (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol?
The InChIKey is FLLQNJUBTZDIBV-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-4-6-10(7-5-9)11(12)8(2)13/h4-8,11,13H,3,12H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol?
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol is sourced from PubChem (CID 93284110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).