1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol

C15H24N2O — CID 55055537

IUPAC1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
SMILESCCCN(CC1CC1)CC(O)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-2-9-17(10-12-3-4-12)11-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11,16H2,1H3
InChIKeyIJOLJULPFXIBKG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds7

About 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol

1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol (PubChem CID 55055537) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
PubChem CID55055537
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
SMILESCCCN(CC1CC1)CC(O)c1ccc(N)cc1
InChIInChI=1S/C15H24N2O/c1-2-9-17(10-12-3-4-12)11-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11,16H2,1H3
InChIKeyIJOLJULPFXIBKG-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol 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-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
CID 61440981
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
1-(3-aminophenyl)-2-(dipropylamino)ethanol
CID 55055730
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 63467781
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 111382017
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol (CID 55055537) is 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol is CCCN(CC1CC1)CC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol?
The InChIKey is IJOLJULPFXIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-9-17(10-12-3-4-12)11-15(18)13-5-7-14(16)8-6-13/h5-8,12,15,18H,2-4,9-11,16H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol?
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol has a molecular weight of 248.37 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-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol is sourced from PubChem (CID 55055537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).