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

C14H23NO — CID 112678795

IUPAC1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
SMILESCCCN(CC)c1ccccc1C(O)CC
InChIInChI=1S/C14H23NO/c1-4-11-15(6-3)13-10-8-7-9-12(13)14(16)5-2/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyAKDQCXPBMFAJQV-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.37
Rot. Bonds6

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

1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol (PubChem CID 112678795) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
PubChem CID112678795
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
SMILESCCCN(CC)c1ccccc1C(O)CC
InChIInChI=1S/C14H23NO/c1-4-11-15(6-3)13-10-8-7-9-12(13)14(16)5-2/h7-10,14,16H,4-6,11H2,1-3H3
InChIKeyAKDQCXPBMFAJQV-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol 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-[2-[2-hydroxyethyl(propyl)amino]phenyl]propan-1-ol
CID 112678854
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
1-[2-(dibutylamino)phenyl]propan-1-ol
CID 22494911
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 103960311
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
(1S)-1-[2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371248
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997
2-[2-(1-aminopropyl)-N-ethylanilino]ethanol
CID 112677936
1-(2-sulfanylphenyl)propan-1-ol
CID 173402717
2-[2-[(1R)-1-aminoethyl]-N-ethylanilino]ethanol
CID 78934890
(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
CID 103960207

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol?
The IUPAC name of 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol (CID 112678795) is 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol is CCCN(CC)c1ccccc1C(O)CC.
What is the InChIKey of 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol?
The InChIKey is AKDQCXPBMFAJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11-15(6-3)13-10-8-7-9-12(13)14(16)5-2/h7-10,14,16H,4-6,11H2,1-3H3.
What are the key properties of 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol?
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 112678795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).