(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol

C13H21NO2 — CID 63371248

IUPAC(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
SMILESCCCN(CCO)c1ccccc1[C@H](C)O
InChIInChI=1S/C13H21NO2/c1-3-8-14(9-10-15)13-7-5-4-6-12(13)11(2)16/h4-7,11,15-16H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyHYKFZTGRUCOIQY-NSHDSACASA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds6

About (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol

(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol (PubChem CID 63371248) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
PubChem CID63371248
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
SMILESCCCN(CCO)c1ccccc1[C@H](C)O
InChIInChI=1S/C13H21NO2/c1-3-8-14(9-10-15)13-7-5-4-6-12(13)11(2)16/h4-7,11,15-16H,3,8-10H2,1-2H3/t11-/m0/s1
InChIKeyHYKFZTGRUCOIQY-NSHDSACASA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
(1S)-1-[2-[methyl(pentyl)amino]phenyl]ethanol
CID 63370824
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997
(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
2-[N-(cyanomethyl)-2-[(1R)-1-hydroxyethyl]anilino]acetonitrile
CID 78939225

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol (CID 63371248) is (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol is CCCN(CCO)c1ccccc1[C@H](C)O.
What is the InChIKey of (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
The InChIKey is HYKFZTGRUCOIQY-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-14(9-10-15)13-7-5-4-6-12(13)11(2)16/h4-7,11,15-16H,3,8-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol?
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol is sourced from PubChem (CID 63371248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).