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

C13H21NO2 — CID 82312644

IUPAC1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
SMILESCCc1ccc(C(O)C(C)NCCO)cc1
InChIInChI=1S/C13H21NO2/c1-3-11-4-6-12(7-5-11)13(16)10(2)14-8-9-15/h4-7,10,13-16H,3,8-9H2,1-2H3
InChIKeyFTWCFQALSXJOGL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds6

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

1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol (PubChem CID 82312644) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
PubChem CID82312644
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol
SMILESCCc1ccc(C(O)C(C)NCCO)cc1
InChIInChI=1S/C13H21NO2/c1-3-11-4-6-12(7-5-11)13(16)10(2)14-8-9-15/h4-7,10,13-16H,3,8-9H2,1-2H3
InChIKeyFTWCFQALSXJOGL-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82312671
2-(propylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316044
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
2-amino-1-(4-ethylphenyl)propan-1-ol
CID 43209069
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
1-(4-bromophenyl)-2-(3-hydroxypropylamino)propan-1-ol
CID 82312926
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
2-(3-ethoxypropylamino)-1-(4-propylphenyl)propan-1-ol
CID 82316067
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
2-[3-(diethylamino)propylamino]-1-phenylpropan-1-ol
CID 82312095

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol (CID 82312644) is 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol is CCc1ccc(C(O)C(C)NCCO)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol?
The InChIKey is FTWCFQALSXJOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-11-4-6-12(7-5-11)13(16)10(2)14-8-9-15/h4-7,10,13-16H,3,8-9H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol?
1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-hydroxyethylamino)propan-1-ol is sourced from PubChem (CID 82312644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).