2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine

C16H21N3O — CID 82061094

IUPAC2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
SMILESCCCCOc1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-9-20-14-7-5-13(6-8-14)19-16-10-12(2)15(17)11-18-16/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyNTRUULVCXITIIK-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.89
Rot. Bonds6

About 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine

2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine (PubChem CID 82061094) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
PubChem CID82061094
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
SMILESCCCCOc1ccc(Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C16H21N3O/c1-3-4-9-20-14-7-5-13(6-8-14)19-16-10-12(2)15(17)11-18-16/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,18,19)
InChIKeyNTRUULVCXITIIK-UHFFFAOYSA-N
XLogP3.89
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine 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-N-(4-ethoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020765
2-N-(4-butylphenyl)-4-methylpyridine-2,5-diamine
CID 79020710
2-N-(4-chlorophenyl)-4-methylpyridine-2,5-diamine
CID 79021207
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
4-methyl-2-N-phenylpyridine-2,5-diamine
CID 79002285
2-N-(3,4-dimethylphenyl)-4-methylpyridine-2,5-diamine
CID 79020766
2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine
CID 82059610
2-methyl-4-nonoxyaniline
CID 43128997
6-N-(4-butoxyphenyl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19142974
6-hydrazinyl-N-(4-propoxyphenyl)pyrimidin-4-amine
CID 80907992
4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
4-N-(4-propoxyphenyl)benzene-1,2,4-triamine
CID 106750723

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine (CID 82061094) is 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine is CCCCOc1ccc(Nc2cc(C)c(N)cn2)cc1.
What is the InChIKey of 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine?
The InChIKey is NTRUULVCXITIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-9-20-14-7-5-13(6-8-14)19-16-10-12(2)15(17)11-18-16/h5-8,10-11H,3-4,9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine?
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine has a molecular weight of 271.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine is sourced from PubChem (CID 82061094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).