1-[2-(dibutylamino)phenyl]propan-1-ol

C17H29NO — CID 22494911

IUPAC1-[2-(dibutylamino)phenyl]propan-1-ol
SMILESCCCCN(CCCC)c1ccccc1C(O)CC
InChIInChI=1S/C17H29NO/c1-4-7-13-18(14-8-5-2)16-12-10-9-11-15(16)17(19)6-3/h9-12,17,19H,4-8,13-14H2,1-3H3
InChIKeyWZODKMMAPFSUFM-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.54
Rot. Bonds9

About 1-[2-(dibutylamino)phenyl]propan-1-ol

1-[2-(dibutylamino)phenyl]propan-1-ol (PubChem CID 22494911) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-[2-(dibutylamino)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(dibutylamino)phenyl]propan-1-ol
PubChem CID22494911
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-[2-(dibutylamino)phenyl]propan-1-ol
SMILESCCCCN(CCCC)c1ccccc1C(O)CC
InChIInChI=1S/C17H29NO/c1-4-7-13-18(14-8-5-2)16-12-10-9-11-15(16)17(19)6-3/h9-12,17,19H,4-8,13-14H2,1-3H3
InChIKeyWZODKMMAPFSUFM-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(dibutylamino)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
1-[2-[ethyl(propyl)amino]phenyl]propan-1-ol
CID 112678795
N,N-dibutyl-2-propan-2-ylaniline
CID 67779975
(1S)-1-[2-[3-(dimethylamino)propyl-ethylamino]phenyl]propan-1-ol
CID 102994867
(1S)-1-[2-(N-butylanilino)phenyl]propan-1-ol
CID 103960207
(1S)-1-[2-[propan-2-yl(propyl)amino]phenyl]propan-1-ol
CID 103959740
(1R)-1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]phenyl]propan-1-ol
CID 107480997
(1R)-1-[2-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]propan-1-ol
CID 113358997
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 103960311
(1R)-1-[2-[3-hydroxypropyl(propan-2-yl)amino]phenyl]propan-1-ol
CID 113358988
(1S)-1-[2-(N-methylanilino)phenyl]propan-1-ol
CID 103959642
1-[2-[3-methoxypropyl(methyl)amino]phenyl]propan-1-ol
CID 112678949

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dibutylamino)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(dibutylamino)phenyl]propan-1-ol (CID 22494911) is 1-[2-(dibutylamino)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(dibutylamino)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(dibutylamino)phenyl]propan-1-ol is CCCCN(CCCC)c1ccccc1C(O)CC.
What is the InChIKey of 1-[2-(dibutylamino)phenyl]propan-1-ol?
The InChIKey is WZODKMMAPFSUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-7-13-18(14-8-5-2)16-12-10-9-11-15(16)17(19)6-3/h9-12,17,19H,4-8,13-14H2,1-3H3.
What are the key properties of 1-[2-(dibutylamino)phenyl]propan-1-ol?
1-[2-(dibutylamino)phenyl]propan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dibutylamino)phenyl]propan-1-ol is sourced from PubChem (CID 22494911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).