2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline

C17H22N2O — CID 104749166

IUPAC2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
SMILESCc1ccc(CNc2ccc(OC(C)C)cc2C)cn1
InChIInChI=1S/C17H22N2O/c1-12(2)20-16-7-8-17(13(3)9-16)19-11-15-6-5-14(4)18-10-15/h5-10,12,19H,11H2,1-4H3
InChIKeyVGLUUIYTDVUGJU-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.10
Rot. Bonds5

About 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline

2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline (PubChem CID 104749166) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
PubChem CID104749166
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline
SMILESCc1ccc(CNc2ccc(OC(C)C)cc2C)cn1
InChIInChI=1S/C17H22N2O/c1-12(2)20-16-7-8-17(13(3)9-16)19-11-15-6-5-14(4)18-10-15/h5-10,12,19H,11H2,1-4H3
InChIKeyVGLUUIYTDVUGJU-UHFFFAOYSA-N
XLogP4.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 105401404
2-[4-[(2-methyl-4-propan-2-yloxyanilino)methyl]pyrazol-1-yl]ethanol
CID 64829407
4-bromo-2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 43226476
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 115682395
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methyl-4-propan-2-yloxyaniline
CID 102834532
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
N-(3,3-dimethylbutyl)-2-methyl-4-propan-2-yloxyaniline
CID 63450883
2-methyl-4-propan-2-yloxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62474227
2-chloro-5-methyl-4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,4-diamine
CID 113334324
2-[(2-methyl-4-propan-2-yloxyanilino)methyl]thiophen-3-amine
CID 66385982
methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
CID 126832263

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline (CID 104749166) is 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline is Cc1ccc(CNc2ccc(OC(C)C)cc2C)cn1.
What is the InChIKey of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline?
The InChIKey is VGLUUIYTDVUGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)20-16-7-8-17(13(3)9-16)19-11-15-6-5-14(4)18-10-15/h5-10,12,19H,11H2,1-4H3.
What are the key properties of 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline?
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline has a molecular weight of 270.38 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-propan-2-yloxyaniline is sourced from PubChem (CID 104749166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).