3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

C15H18ClN3O — CID 43678976

IUPAC3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-19(2)13-7-8-17-15(20-3)14(13)18-10-11-5-4-6-12(16)9-11/h4-9,18H,10H2,1-3H3
InChIKeySPMGXPGNSYKWCC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.42
Rot. Bonds5

About 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678976) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678976
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCOc1nccc(N(C)C)c1NCc1cccc(Cl)c1
InChIInChI=1S/C15H18ClN3O/c1-19(2)13-7-8-17-15(20-3)14(13)18-10-11-5-4-6-12(16)9-11/h4-9,18H,10H2,1-3H3
InChIKeySPMGXPGNSYKWCC-UHFFFAOYSA-N
XLogP3.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-N,4-N-dimethyl-3-N-(pyridin-4-ylmethyl)pyridine-3,4-diamine
CID 43678938
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
2-methoxy-4-N,4-N-dimethyl-3-N-(1H-pyrazol-5-ylmethyl)pyridine-3,4-diamine
CID 43679012
4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829885
3-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 102831966
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
2-methoxy-4-N,4-N-dimethyl-3-N-(3-methylbutan-2-yl)pyridine-3,4-diamine
CID 43678979
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
3-N-heptan-4-yl-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678972
N-[(3-chlorophenyl)methyl]-5-methoxy-2-methylpyridin-4-amine
CID 106660476
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678976) is 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is COc1nccc(N(C)C)c1NCc1cccc(Cl)c1.
What is the InChIKey of 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is SPMGXPGNSYKWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-19(2)13-7-8-17-15(20-3)14(13)18-10-11-5-4-6-12(16)9-11/h4-9,18H,10H2,1-3H3.
What are the key properties of 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 291.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-chlorophenyl)methyl]-2-methoxy-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).