2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine

C16H21N3O — CID 103182279

IUPAC2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine
SMILESCOc1ccc(N(C)Cc2ncc(C)c(N)c2C)cc1
InChIInChI=1S/C16H21N3O/c1-11-9-18-15(12(2)16(11)17)10-19(3)13-5-7-14(20-4)8-6-13/h5-9H,10H2,1-4H3,(H2,17,18)
InChIKeyKCOVKDIIPNONBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.93
Rot. Bonds4

About 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine

2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine (PubChem CID 103182279) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine
PubChem CID103182279
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine
SMILESCOc1ccc(N(C)Cc2ncc(C)c(N)c2C)cc1
InChIInChI=1S/C16H21N3O/c1-11-9-18-15(12(2)16(11)17)10-19(3)13-5-7-14(20-4)8-6-13/h5-9H,10H2,1-4H3,(H2,17,18)
InChIKeyKCOVKDIIPNONBP-UHFFFAOYSA-N
XLogP2.93
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine 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

2-[(4-methoxyphenoxy)methyl]-3,5-dimethylpyridin-4-amine
CID 103183021
2-[[methoxy(methyl)amino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182114
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-methylamino]benzonitrile
CID 103182511
2-[(3-methoxyphenyl)sulfonylmethyl]-3,5-dimethylpyridin-4-amine
CID 103183508
2-[[cyclopropylmethyl(methyl)amino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182133
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 103182316
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
3,5-dimethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridin-4-amine
CID 103182405
4-fluoro-N-[[1-[(4-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-yl]methyl]-N-methylaniline
CID 67140884
5-chloro-6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62891685
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol
CID 107733916

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine (CID 103182279) is 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine is COc1ccc(N(C)Cc2ncc(C)c(N)c2C)cc1.
What is the InChIKey of 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine?
The InChIKey is KCOVKDIIPNONBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-18-15(12(2)16(11)17)10-19(3)13-5-7-14(20-4)8-6-13/h5-9H,10H2,1-4H3,(H2,17,18).
What are the key properties of 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine?
2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-N-methylanilino)methyl]-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103182279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).