2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol

C18H24N2O — CID 12570795

IUPAC2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(NCCc1ccccc1N)C(O)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-18(2,17(21)15-9-4-3-5-10-15)20-13-12-14-8-6-7-11-16(14)19/h3-11,17,20-21H,12-13,19H2,1-2H3
InChIKeyUPMJUABVCMROAL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.91
Rot. Bonds6

About 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol

2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol (PubChem CID 12570795) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol
PubChem CID12570795
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(NCCc1ccccc1N)C(O)c1ccccc1
InChIInChI=1S/C18H24N2O/c1-18(2,17(21)15-9-4-3-5-10-15)20-13-12-14-8-6-7-11-16(14)19/h3-11,17,20-21H,12-13,19H2,1-2H3
InChIKeyUPMJUABVCMROAL-UHFFFAOYSA-N
XLogP2.91
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-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-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol
CID 12640114
2-(2,2-diphenylethylamino)-2-methyl-1-phenylpropan-1-ol
CID 12570790
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
1-phenylethyl 3-(2-aminophenyl)propanoate
CID 107273888
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894
2-[3-(2-aminophenyl)propanoylamino]-N-tert-butylpropanamide;hydrochloride
CID 120609736
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-(2-aminophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43498529
ethane;2-(3-methylbutyl)aniline
CID 143042088
3-methyl-3-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 107876430
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol (CID 12570795) is 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol is CC(C)(NCCc1ccccc1N)C(O)c1ccccc1.
What is the InChIKey of 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is UPMJUABVCMROAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2,17(21)15-9-4-3-5-10-15)20-13-12-14-8-6-7-11-16(14)19/h3-11,17,20-21H,12-13,19H2,1-2H3.
What are the key properties of 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol?
2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 12570795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).