1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol

C17H30N2O — CID 82071441

IUPAC1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
SMILESCCCCN(CCCC)CCC(O)c1ccccc1N
InChIInChI=1S/C17H30N2O/c1-3-5-12-19(13-6-4-2)14-11-17(20)15-9-7-8-10-16(15)18/h7-10,17,20H,3-6,11-14,18H2,1-2H3
InChIKeyDACNARWYAVWZHY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.59
Rot. Bonds10

About 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol

1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol (PubChem CID 82071441) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
PubChem CID82071441
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol
SMILESCCCCN(CCCC)CCC(O)c1ccccc1N
InChIInChI=1S/C17H30N2O/c1-3-5-12-19(13-6-4-2)14-11-17(20)15-9-7-8-10-16(15)18/h7-10,17,20H,3-6,11-14,18H2,1-2H3
InChIKeyDACNARWYAVWZHY-UHFFFAOYSA-N
XLogP3.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-3-[butyl(ethyl)amino]propan-1-ol
CID 82071642
1-(2-aminophenyl)-2-[butyl(ethyl)amino]ethanol
CID 62264739
1-(2-aminophenyl)-2-[3-(diethylamino)propyl-ethylamino]ethanol
CID 102991607
1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82071464
1-(2-aminophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 62266300
1-(2-aminophenyl)-4,4-dimethylpentan-1-ol
CID 64831796
2-icosan-9-ylaniline
CID 22408958
2-[amino(butyl)amino]aniline;ethane
CID 143625379
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-[[2-(2-aminophenyl)-2-hydroxyethyl]-ethylamino]propanenitrile
CID 62266148
1-(2-aminophenyl)-2-[bis(2-methoxyethyl)amino]ethanol
CID 62264582

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol?
The IUPAC name of 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol (CID 82071441) is 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol.
What is the SMILES notation for 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol?
The canonical SMILES for 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol is CCCCN(CCCC)CCC(O)c1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol?
The InChIKey is DACNARWYAVWZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-5-12-19(13-6-4-2)14-11-17(20)15-9-7-8-10-16(15)18/h7-10,17,20H,3-6,11-14,18H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol?
1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol has a molecular weight of 278.44 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-(dibutylamino)propan-1-ol is sourced from PubChem (CID 82071441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).