2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride

C12H20ClNO — CID 76974190

IUPAC2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
SMILESCCNC(C)C(O)c1ccc(C)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11;/h5-8,10,12-14H,4H2,1-3H3;1H
InChIKeyOILWAWJXJPGPCJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.45
Rot. Bonds4

About 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride

2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride (PubChem CID 76974190) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
PubChem CID76974190
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC Name2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
SMILESCCNC(C)C(O)c1ccc(C)cc1.Cl
InChIInChI=1S/C12H19NO.ClH/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11;/h5-8,10,12-14H,4H2,1-3H3;1H
InChIKeyOILWAWJXJPGPCJ-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride 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

1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312422
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
1-(3-bromo-4-methylphenyl)-2-(ethylamino)propan-1-ol
CID 105402863
4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;hydrobromide
CID 169439116
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
CID 141070441
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
CID 82312351
3-(ethylamino)-4-hydroxy-4-(4-methylphenyl)butanoic acid
CID 82347443
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride (CID 76974190) is 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride is CCNC(C)C(O)c1ccc(C)cc1.Cl.
What is the InChIKey of 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride?
The InChIKey is OILWAWJXJPGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.ClH/c1-4-13-10(3)12(14)11-7-5-9(2)6-8-11;/h5-8,10,12-14H,4H2,1-3H3;1H.
What are the key properties of 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride?
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride has a molecular weight of 229.75 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 76974190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).