2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile

C17H19N3 — CID 66387054

IUPAC2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(NCc2ccccc2N)cc1
InChIInChI=1S/C17H19N3/c1-17(2,12-18)14-7-9-15(10-8-14)20-11-13-5-3-4-6-16(13)19/h3-10,20H,11,19H2,1-2H3
InChIKeyHFALQSMWQXIJKY-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.68
Rot. Bonds4

About 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile

2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile (PubChem CID 66387054) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile
PubChem CID66387054
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile
SMILESCC(C)(C#N)c1ccc(NCc2ccccc2N)cc1
InChIInChI=1S/C17H19N3/c1-17(2,12-18)14-7-9-15(10-8-14)20-11-13-5-3-4-6-16(13)19/h3-10,20H,11,19H2,1-2H3
InChIKeyHFALQSMWQXIJKY-UHFFFAOYSA-N
XLogP3.68
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(5-chloro-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 114841599
2-[4-[(5-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674318
2-[4-[(4-bromo-2-fluorophenyl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674384
2-[[4-(trifluoromethylsulfanyl)anilino]methyl]aniline
CID 66385265
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-2-methylpropanenitrile
CID 43674304
2-[4-(1H-imidazol-5-ylmethylamino)phenyl]-2-methylpropanenitrile
CID 62763178
N-[(2-aminophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250110
2-(2-aminophenyl)-2-methylpropanenitrile
CID 59934957
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
3-[(2-aminophenyl)methylamino]-4-methylbenzonitrile
CID 66417871
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 66385653

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile (CID 66387054) is 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile is CC(C)(C#N)c1ccc(NCc2ccccc2N)cc1.
What is the InChIKey of 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile?
The InChIKey is HFALQSMWQXIJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-17(2,12-18)14-7-9-15(10-8-14)20-11-13-5-3-4-6-16(13)19/h3-10,20H,11,19H2,1-2H3.
What are the key properties of 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile?
2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile has a molecular weight of 265.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminophenyl)methylamino]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 66387054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).