6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine

C15H19N3O — CID 81131859

IUPAC6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCCOc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-8-9-14(16)15(18-12)17-10-5-11-19-13-6-3-2-4-7-13/h2-4,6-9H,5,10-11,16H2,1H3,(H,17,18)
InChIKeyBLFFJBQLUXDXHN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.85
Rot. Bonds6

About 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine

6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine (PubChem CID 81131859) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
PubChem CID81131859
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine
SMILESCc1ccc(N)c(NCCCOc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-8-9-14(16)15(18-12)17-10-5-11-19-13-6-3-2-4-7-13/h2-4,6-9H,5,10-11,16H2,1H3,(H,17,18)
InChIKeyBLFFJBQLUXDXHN-UHFFFAOYSA-N
XLogP2.85
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-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

6-methyl-2-N-(3-phenylpropyl)pyridine-2,3-diamine
CID 81133138
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
N-[3-[(3-amino-6-methyl-2-pyridinyl)amino]propyl]-2-phenylacetamide
CID 82331250
3-methyl-N-(3-phenoxypropyl)pyridin-2-amine
CID 62379676
6-methyl-2-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2,3-diamine
CID 114139240
5-ethyl-4-N-(3-phenoxypropyl)pyrimidine-4,6-diamine
CID 80826774
ethyl 4-[(3-amino-6-methyl-2-pyridinyl)amino]butanoate
CID 81132121
6-hydrazinyl-2,5-dimethyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 80900531
N-[4-[(3-amino-6-methyl-2-pyridinyl)amino]butyl]acetamide
CID 82331581
4-N-(2-phenoxyethyl)quinazoline-2,4-diamine
CID 80791774
2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
6-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 81132933

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine (CID 81131859) is 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine is Cc1ccc(N)c(NCCCOc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine?
The InChIKey is BLFFJBQLUXDXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-8-9-14(16)15(18-12)17-10-5-11-19-13-6-3-2-4-7-13/h2-4,6-9H,5,10-11,16H2,1H3,(H,17,18).
What are the key properties of 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine?
6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(3-phenoxypropyl)pyridine-2,3-diamine is sourced from PubChem (CID 81131859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).