1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol

C14H24N2O — CID 62265577

IUPAC1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(C)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-4-13(5-2)16(3)10-14(17)11-6-8-12(15)9-7-11/h6-9,13-14,17H,4-5,10,15H2,1-3H3
InChIKeyIYRMKLIFZUODPU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.42
Rot. Bonds6

About 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol

1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol (PubChem CID 62265577) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
PubChem CID62265577
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
SMILESCCC(CC)N(C)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-4-13(5-2)16(3)10-14(17)11-6-8-12(15)9-7-11/h6-9,13-14,17H,4-5,10,15H2,1-3H3
InChIKeyIYRMKLIFZUODPU-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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'}

Analyze 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)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-[methyl(4-methylpentan-2-yl)amino]ethanol
CID 55055823
4-[4-[methyl(pentan-3-yl)amino]butan-2-yl]aniline
CID 104501462
1-(4-aminophenyl)-2-[propan-2-yl(propyl)amino]ethanol
CID 62266967
1-(4-aminophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanol
CID 62265226
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
CID 62264881
3-[[2-(4-aminophenyl)-2-hydroxyethyl]-methylamino]propanenitrile
CID 62265917
1-(4-aminophenyl)-2-[methyl(oxan-4-yl)amino]ethanol
CID 62264706
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
(1S)-1-(4-aminophenyl)-2-[[(2R)-butan-2-yl]amino]ethanol
CID 76963597
1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570965
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol (CID 62265577) is 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol is CCC(CC)N(C)CC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol?
The InChIKey is IYRMKLIFZUODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-13(5-2)16(3)10-14(17)11-6-8-12(15)9-7-11/h6-9,13-14,17H,4-5,10,15H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol?
1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol is sourced from PubChem (CID 62265577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).