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

C11H17NO — CID 43209069

IUPAC2-amino-1-(4-ethylphenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(C)N)cc1
InChIInChI=1S/C11H17NO/c1-3-9-4-6-10(7-5-9)11(13)8(2)12/h4-8,11,13H,3,12H2,1-2H3
InChIKeyQFPVIZCTOBFQJM-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.63
Rot. Bonds3

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

2-amino-1-(4-ethylphenyl)propan-1-ol (PubChem CID 43209069) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-amino-1-(4-ethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-ethylphenyl)propan-1-ol
PubChem CID43209069
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-amino-1-(4-ethylphenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(C)N)cc1
InChIInChI=1S/C11H17NO/c1-3-9-4-6-10(7-5-9)11(13)8(2)12/h4-8,11,13H,3,12H2,1-2H3
InChIKeyQFPVIZCTOBFQJM-UHFFFAOYSA-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

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Related Compounds

(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
2-amino-1-(4-ethylphenyl)-3-fluoropropan-1-ol
CID 123193728
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
(1S,2R)-2-amino-1-(4-propan-2-ylphenyl)propan-1-ol
CID 28743945
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
2-amino-5-(4-ethylphenyl)hexan-3-ol
CID 83922656
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
CID 82312644
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
2-cyclopropyl-1-(4-ethylphenyl)propan-1-ol
CID 83148065
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethylphenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-ethylphenyl)propan-1-ol (CID 43209069) is 2-amino-1-(4-ethylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-ethylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-ethylphenyl)propan-1-ol is CCc1ccc(C(O)C(C)N)cc1.
What is the InChIKey of 2-amino-1-(4-ethylphenyl)propan-1-ol?
The InChIKey is QFPVIZCTOBFQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-9-4-6-10(7-5-9)11(13)8(2)12/h4-8,11,13H,3,12H2,1-2H3.
What are the key properties of 2-amino-1-(4-ethylphenyl)propan-1-ol?
2-amino-1-(4-ethylphenyl)propan-1-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 2-amino-1-(4-ethylphenyl)propan-1-ol is sourced from PubChem (CID 43209069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).