2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile

C17H19N3 — CID 60876648

IUPAC2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
SMILESCC(C)N(Cc1ccccc1N)c1ccccc1C#N
InChIInChI=1S/C17H19N3/c1-13(2)20(12-15-8-3-5-9-16(15)19)17-10-6-4-7-14(17)11-18/h3-10,13H,12,19H2,1-2H3
InChIKeyQQUPIYHZACXUCJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.56
Rot. Bonds4

About 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile

2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile (PubChem CID 60876648) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
PubChem CID60876648
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile
SMILESCC(C)N(Cc1ccccc1N)c1ccccc1C#N
InChIInChI=1S/C17H19N3/c1-13(2)20(12-15-8-3-5-9-16(15)19)17-10-6-4-7-14(17)11-18/h3-10,13H,12,19H2,1-2H3
InChIKeyQQUPIYHZACXUCJ-UHFFFAOYSA-N
XLogP3.56
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-aminophenyl)methyl-ethylamino]benzonitrile
CID 60877021
2-[benzyl(propan-2-yl)amino]benzonitrile
CID 29273370
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
N-[(2-aminophenyl)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 60875898
2-[3-hydroxypropyl(propan-2-yl)amino]benzonitrile
CID 61147832
2-[(2-aminophenyl)methyl-methylamino]-6-chlorobenzonitrile
CID 62497687
2-[(2-aminophenyl)methyl-ethylamino]-5-bromobenzonitrile
CID 114895090
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
3-[[(2-aminophenyl)methyl-propan-2-ylamino]methyl]benzonitrile
CID 43460439
2-(2-amino-N-ethylanilino)propanenitrile
CID 62102800
N-[(2-aminophenyl)methyl]-3-bromo-5-chloro-N-propan-2-ylpyridin-2-amine
CID 114836412
2-[(2-aminophenyl)methyl-propylamino]-6-fluorobenzonitrile
CID 60877231

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile?
The IUPAC name of 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile (CID 60876648) is 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile?
The canonical SMILES for 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile is CC(C)N(Cc1ccccc1N)c1ccccc1C#N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile?
The InChIKey is QQUPIYHZACXUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(2)20(12-15-8-3-5-9-16(15)19)17-10-6-4-7-14(17)11-18/h3-10,13H,12,19H2,1-2H3.
What are the key properties of 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile?
2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-propan-2-ylamino]benzonitrile is sourced from PubChem (CID 60876648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).