N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline

C19H18N2 — CID 104821896

IUPACN-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
SMILESCc1ccc(CNc2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C19H18N2/c1-15-7-8-16(13-20-15)14-21-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-13,21H,14H2,1H3
InChIKeyIQQNTGYOQVQWQO-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.67
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline

N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline (PubChem CID 104821896) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
PubChem CID104821896
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
SMILESCc1ccc(CNc2ccc(-c3ccccc3)cc2)cn1
InChIInChI=1S/C19H18N2/c1-15-7-8-16(13-20-15)14-21-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-13,21H,14H2,1H3
InChIKeyIQQNTGYOQVQWQO-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline (CID 104821896) is N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline is Cc1ccc(CNc2ccc(-c3ccccc3)cc2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline?
The InChIKey is IQQNTGYOQVQWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-15-7-8-16(13-20-15)14-21-19-11-9-18(10-12-19)17-5-3-2-4-6-17/h2-13,21H,14H2,1H3.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline?
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline has a molecular weight of 274.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline is sourced from PubChem (CID 104821896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).