2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile

C15H15N3 — CID 62589616

IUPAC2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile
SMILESCc1ccc(N)cc1Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H15N3/c1-11-2-5-13(17)10-15(11)18-14-6-3-12(4-7-14)8-9-16/h2-7,10,18H,8,17H2,1H3
InChIKeyWHLGTWRJDRADID-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.39
Rot. Bonds3

About 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile

2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile (PubChem CID 62589616) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile
PubChem CID62589616
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile
SMILESCc1ccc(N)cc1Nc1ccc(CC#N)cc1
InChIInChI=1S/C15H15N3/c1-11-2-5-13(17)10-15(11)18-14-6-3-12(4-7-14)8-9-16/h2-7,10,18H,8,17H2,1H3
InChIKeyWHLGTWRJDRADID-UHFFFAOYSA-N
XLogP3.39
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile (CID 62589616) is 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile is Cc1ccc(N)cc1Nc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile?
The InChIKey is WHLGTWRJDRADID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-11-2-5-13(17)10-15(11)18-14-6-3-12(4-7-14)8-9-16/h2-7,10,18H,8,17H2,1H3.
What are the key properties of 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile?
2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile has a molecular weight of 237.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2-methylanilino)phenyl]acetonitrile is sourced from PubChem (CID 62589616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).