1-(3-aminophenyl)-2-(dipropylamino)ethanol

C14H24N2O — CID 55055730

IUPAC1-(3-aminophenyl)-2-(dipropylamino)ethanol
SMILESCCCN(CCC)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H24N2O/c1-3-8-16(9-4-2)11-14(17)12-6-5-7-13(15)10-12/h5-7,10,14,17H,3-4,8-9,11,15H2,1-2H3
InChIKeyBNEMZHUZXGTVIQ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds7

About 1-(3-aminophenyl)-2-(dipropylamino)ethanol

1-(3-aminophenyl)-2-(dipropylamino)ethanol (PubChem CID 55055730) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(dipropylamino)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(dipropylamino)ethanol
PubChem CID55055730
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(3-aminophenyl)-2-(dipropylamino)ethanol
SMILESCCCN(CCC)CC(O)c1cccc(N)c1
InChIInChI=1S/C14H24N2O/c1-3-8-16(9-4-2)11-14(17)12-6-5-7-13(15)10-12/h5-7,10,14,17H,3-4,8-9,11,15H2,1-2H3
InChIKeyBNEMZHUZXGTVIQ-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.42
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-(3-bromophenyl)-2-(dipropylamino)ethanol
CID 82216690
3-[[2-(3-aminophenyl)-2-hydroxyethyl]-(2-methoxyethyl)amino]propanenitrile
CID 63284375
1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 55055206
1-(3-aminophenyl)-2-[methyl(2-methylbutyl)amino]ethanol
CID 62265077
4-[[2-(3-aminophenyl)-2-hydroxyethyl]-methylamino]butan-2-ol
CID 113499514
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
1-(3-aminophenyl)-2-[2-methylpropyl(propan-2-yl)amino]ethanol
CID 55055157
2-(dipropylamino)-1-(4-phenylphenyl)ethanol
CID 82215884
(1R)-2-[benzyl(propyl)amino]-1-(3-bromophenyl)ethanol
CID 52535526
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
CID 63877706
3-[(3-aminophenyl)methyl-propylamino]propane-1,2-diol
CID 82850437

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(dipropylamino)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(dipropylamino)ethanol (CID 55055730) is 1-(3-aminophenyl)-2-(dipropylamino)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(dipropylamino)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(dipropylamino)ethanol is CCCN(CCC)CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(dipropylamino)ethanol?
The InChIKey is BNEMZHUZXGTVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-8-16(9-4-2)11-14(17)12-6-5-7-13(15)10-12/h5-7,10,14,17H,3-4,8-9,11,15H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(dipropylamino)ethanol?
1-(3-aminophenyl)-2-(dipropylamino)ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(dipropylamino)ethanol is sourced from PubChem (CID 55055730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).