3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol

C11H18N2O — CID 66419250

IUPAC3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1ccccc1N
InChIInChI=1S/C11H18N2O/c1-9(8-14)6-13-7-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8,12H2,1H3
InChIKeyOILZZICVYDCGTG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.99
Rot. Bonds5

About 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol

3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol (PubChem CID 66419250) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
PubChem CID66419250
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1ccccc1N
InChIInChI=1S/C11H18N2O/c1-9(8-14)6-13-7-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8,12H2,1H3
InChIKeyOILZZICVYDCGTG-UHFFFAOYSA-N
XLogP0.99
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-aminophenyl)methylamino]-2-methylpropan-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

2-[[(2-methyl-3-methylsulfanylpropyl)amino]methyl]aniline
CID 66418078
2-[(2,3-dimethylbutylamino)methyl]aniline
CID 64596728
2-[(2-aminophenyl)methylamino]propan-1-ol
CID 66386252
2-[(3-methylbutylamino)methyl]aniline
CID 65439123
N-[2-[(2-aminophenyl)methylamino]ethyl]-2-methylpropanamide
CID 66387835
2-methyl-3-[(2-phenylmethoxyphenyl)methylamino]propan-1-ol
CID 110906004
3-[(3-chloro-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 115695888
2-[(2-aminophenyl)methylamino]propane-1,3-diol
CID 66417695
N-[(2-aminophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 106703486
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
2-(2-aminophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43498574
3-(2,3-dihydro-1H-indol-7-ylmethylamino)-2-methylpropan-1-ol
CID 80650053

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol (CID 66419250) is 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol is CC(CO)CNCc1ccccc1N.
What is the InChIKey of 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol?
The InChIKey is OILZZICVYDCGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(8-14)6-13-7-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8,12H2,1H3.
What are the key properties of 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol?
3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminophenyl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 66419250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).