(1S)-2-amino-1-(4-ethylphenyl)ethanol

C10H15NO — CID 42182576

IUPAC(1S)-2-amino-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc([C@H](O)CN)cc1
InChIInChI=1S/C10H15NO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3/t10-/m1/s1
InChIKeyXIZKPKJTDGAEGJ-SNVBAGLBSA-N
MW165.24 g/mol
LogP1.24
Rot. Bonds3

About (1S)-2-amino-1-(4-ethylphenyl)ethanol

(1S)-2-amino-1-(4-ethylphenyl)ethanol (PubChem CID 42182576) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (1S)-2-amino-1-(4-ethylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-amino-1-(4-ethylphenyl)ethanol
PubChem CID42182576
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(1S)-2-amino-1-(4-ethylphenyl)ethanol
SMILESCCc1ccc([C@H](O)CN)cc1
InChIInChI=1S/C10H15NO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3/t10-/m1/s1
InChIKeyXIZKPKJTDGAEGJ-SNVBAGLBSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S)-2-amino-1-(4-ethylphenyl)ethanol 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

3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424
2-amino-1-[4-(diethylaminomethyl)phenyl]ethanol
CID 117318753
(1R)-1-(4-ethylphenyl)butan-1-ol
CID 39237012
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
1-(4-ethylphenyl)-3,3-dimethylbutan-1-ol
CID 61088685
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
1-[4-(aminomethyl)phenyl]propan-1-ol
CID 22716491
(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
CID 129393037
1-(4-ethylphenyl)-2-propan-2-ylsulfanylethanol
CID 65132157
2-amino-1-phenylethanol;ethane
CID 91425169

Frequently Asked Questions

What is the IUPAC name of (1S)-2-amino-1-(4-ethylphenyl)ethanol?
The IUPAC name of (1S)-2-amino-1-(4-ethylphenyl)ethanol (CID 42182576) is (1S)-2-amino-1-(4-ethylphenyl)ethanol.
What is the SMILES notation for (1S)-2-amino-1-(4-ethylphenyl)ethanol?
The canonical SMILES for (1S)-2-amino-1-(4-ethylphenyl)ethanol is CCc1ccc([C@H](O)CN)cc1.
What is the InChIKey of (1S)-2-amino-1-(4-ethylphenyl)ethanol?
The InChIKey is XIZKPKJTDGAEGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-3-5-9(6-4-8)10(12)7-11/h3-6,10,12H,2,7,11H2,1H3/t10-/m1/s1.
What are the key properties of (1S)-2-amino-1-(4-ethylphenyl)ethanol?
(1S)-2-amino-1-(4-ethylphenyl)ethanol has a molecular weight of 165.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-amino-1-(4-ethylphenyl)ethanol is sourced from PubChem (CID 42182576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).