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

C15H19N3O — CID 43690444

IUPAC5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCOc1cccc(CNc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C15H19N3O/c1-18(2)15-8-7-13(11-17-15)16-10-12-5-4-6-14(9-12)19-3/h4-9,11,16H,10H2,1-3H3
InChIKeyWWQNOSIBFNDNTM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.77
Rot. Bonds5

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

5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (PubChem CID 43690444) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
PubChem CID43690444
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine
SMILESCOc1cccc(CNc2ccc(N(C)C)nc2)c1
InChIInChI=1S/C15H19N3O/c1-18(2)15-8-7-13(11-17-15)16-10-12-5-4-6-14(9-12)19-3/h4-9,11,16H,10H2,1-3H3
InChIKeyWWQNOSIBFNDNTM-UHFFFAOYSA-N
XLogP2.77
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
5-N-(isoquinolin-6-ylmethyl)-2-N,2-N-dimethylpyridine-2,5-diamine
CID 107037893
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
N,N-dimethyl-5-[(3-pentan-3-yloxyanilino)methyl]pyridin-2-amine
CID 68723711
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
N-[(3-butoxyphenyl)methyl]-3-methoxyaniline
CID 39386916
5-fluoro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 61313135
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43690428
3-methoxy-N-[[3-(2-phenylethoxy)phenyl]methyl]aniline
CID 54797531

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The IUPAC name of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine (CID 43690444) is 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The canonical SMILES for 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is COc1cccc(CNc2ccc(N(C)C)nc2)c1.
What is the InChIKey of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
The InChIKey is WWQNOSIBFNDNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)15-8-7-13(11-17-15)16-10-12-5-4-6-14(9-12)19-3/h4-9,11,16H,10H2,1-3H3.
What are the key properties of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine?
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 43690444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).