2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine

C18H25N3O — CID 82059610

IUPAC2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine
SMILESCCCCCCOc1ccc(Nc2ncc(C)cc2N)cc1
InChIInChI=1S/C18H25N3O/c1-3-4-5-6-11-22-16-9-7-15(8-10-16)21-18-17(19)12-14(2)13-20-18/h7-10,12-13H,3-6,11,19H2,1-2H3,(H,20,21)
InChIKeyQDAATMPXKDKKIS-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.67
Rot. Bonds8

About 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine

2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine (PubChem CID 82059610) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine
PubChem CID82059610
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine
SMILESCCCCCCOc1ccc(Nc2ncc(C)cc2N)cc1
InChIInChI=1S/C18H25N3O/c1-3-4-5-6-11-22-16-9-7-15(8-10-16)21-18-17(19)12-14(2)13-20-18/h7-10,12-13H,3-6,11,19H2,1-2H3,(H,20,21)
InChIKeyQDAATMPXKDKKIS-UHFFFAOYSA-N
XLogP4.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-decoxy-N-(4-decoxyphenyl)aniline
CID 19796048
2-N-(4-butoxyphenyl)-4-methylpyridine-2,5-diamine
CID 82061094
6-N-(4-butoxyphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547012
6-N-(4-butoxyphenyl)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19142974
6-ethyl-N-(4-hexoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21012213
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
5-methyl-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,3-diamine
CID 66278412
2-methyl-4-nonoxyaniline
CID 43128997
4-N-(4-butoxyphenyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135400
4-heptoxybenzene-1,2-diamine
CID 54795786
4-(4-tetradecoxyanilino)phenol
CID 174780996

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine (CID 82059610) is 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine is CCCCCCOc1ccc(Nc2ncc(C)cc2N)cc1.
What is the InChIKey of 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine?
The InChIKey is QDAATMPXKDKKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-3-4-5-6-11-22-16-9-7-15(8-10-16)21-18-17(19)12-14(2)13-20-18/h7-10,12-13H,3-6,11,19H2,1-2H3,(H,20,21).
What are the key properties of 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine?
2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine has a molecular weight of 299.42 g/mol, XLogP of 4.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-hexoxyphenyl)-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 82059610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).