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

C17H22N2O — CID 12640114

IUPAC2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(NCc1ccccc1N)C(O)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-17(2,16(20)13-8-4-3-5-9-13)19-12-14-10-6-7-11-15(14)18/h3-11,16,19-20H,12,18H2,1-2H3
InChIKeyGCKLXOZWXQZAKZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.87
Rot. Bonds5

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

2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol (PubChem CID 12640114) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol
PubChem CID12640114
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(C)(NCc1ccccc1N)C(O)c1ccccc1
InChIInChI=1S/C17H22N2O/c1-17(2,16(20)13-8-4-3-5-9-13)19-12-14-10-6-7-11-15(14)18/h3-11,16,19-20H,12,18H2,1-2H3
InChIKeyGCKLXOZWXQZAKZ-UHFFFAOYSA-N
XLogP2.87
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminophenyl)ethylamino]-2-methyl-1-phenylpropan-1-ol
CID 12570795
2-(2,2-diphenylethylamino)-2-methyl-1-phenylpropan-1-ol
CID 12570790
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456
2-(2-aminophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43498529
3-amino-4-[(2-aminophenyl)methylamino]-3,4-bis(carboxymethyl)hexanedioic acid
CID 70416932
(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-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
N-[(2-aminophenyl)methyl]-2,2-dimethylbutanamide
CID 62679521
2-[(2-aminophenyl)methylamino]propan-1-ol
CID 66386252
N-[(2-aminophenyl)methyl]-2-oxopropanamide
CID 110478407
2-(hydrazinylmethyl)aniline
CID 126609519

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol (CID 12640114) is 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol is CC(C)(NCc1ccccc1N)C(O)c1ccccc1.
What is the InChIKey of 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is GCKLXOZWXQZAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-17(2,16(20)13-8-4-3-5-9-13)19-12-14-10-6-7-11-15(14)18/h3-11,16,19-20H,12,18H2,1-2H3.
What are the key properties of 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol?
2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 270.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methylamino]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 12640114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).