2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine

C15H19N3O — CID 66277992

IUPAC2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
SMILESCOc1ccc(CN(C)c2ncc(C)cc2N)cc1
InChIInChI=1S/C15H19N3O/c1-11-8-14(16)15(17-9-11)18(2)10-12-4-6-13(19-3)7-5-12/h4-9H,10,16H2,1-3H3
InChIKeyYEYSQULAUCZQMW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.62
Rot. Bonds4

About 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine

2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine (PubChem CID 66277992) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
PubChem CID66277992
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine
SMILESCOc1ccc(CN(C)c2ncc(C)cc2N)cc1
InChIInChI=1S/C15H19N3O/c1-11-8-14(16)15(17-9-11)18(2)10-12-4-6-13(19-3)7-5-12/h4-9H,10,16H2,1-3H3
InChIKeyYEYSQULAUCZQMW-UHFFFAOYSA-N
XLogP2.62
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-6-[(4-methoxyphenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81447512
5-bromo-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyridin-2-amine
CID 112697433
2-N,5-dimethyl-2-N-(pyridin-3-ylmethyl)pyridine-2,3-diamine
CID 66278201
4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80794758
3,5-dichloro-6-N-[(4-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-diamine
CID 102756549
3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
4-N-[(4-methoxyphenyl)methyl]-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80794484
2-chloro-4-N-[(4-methoxyphenyl)methyl]-4-N,5-dimethylbenzene-1,4-diamine
CID 115554670
N-[(4-methoxyphenyl)methyl]-N,5,6-trimethylpyrimidin-4-amine
CID 165435267
2-N-(3-methoxypropyl)-2-N,5-dimethylpyridine-2,3-diamine
CID 66279324
3-bromo-N-[(3-methoxyphenyl)methyl]-N,5-dimethylpyridin-2-amine
CID 105367764
N-[[4-(aminomethyl)phenyl]methyl]-3-bromo-N,5-dimethylpyridin-2-amine
CID 105366500

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine (CID 66277992) is 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine is COc1ccc(CN(C)c2ncc(C)cc2N)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine?
The InChIKey is YEYSQULAUCZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-8-14(16)15(17-9-11)18(2)10-12-4-6-13(19-3)7-5-12/h4-9H,10,16H2,1-3H3.
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine?
2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-2-N,5-dimethylpyridine-2,3-diamine is sourced from PubChem (CID 66277992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).