1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol

C14H23NO2 — CID 112678854

IUPAC1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
SMILESCCCN(CCO)c1ccccc1C(O)CC
InChIInChI=1S/C14H23NO2/c1-3-9-15(10-11-16)13-8-6-5-7-12(13)14(17)4-2/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyGSFKGKKHULJQBT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.34
Rot. Bonds7

About 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol

1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol (PubChem CID 112678854) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
PubChem CID112678854
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
SMILESCCCN(CCO)c1ccccc1C(O)CC
InChIInChI=1S/C14H23NO2/c1-3-9-15(10-11-16)13-8-6-5-7-12(13)14(17)4-2/h5-8,14,16-17H,3-4,9-11H2,1-2H3
InChIKeyGSFKGKKHULJQBT-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 103960311
N'-[2-[(1S)-1-aminoethyl]phenyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 78935470
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol (CID 112678854) is 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol is CCCN(CCO)c1ccccc1C(O)CC.
What is the InChIKey of 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol?
The InChIKey is GSFKGKKHULJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-9-15(10-11-16)13-8-6-5-7-12(13)14(17)4-2/h5-8,14,16-17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol?
1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 112678854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).