6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine

C14H16ClN3O — CID 103293605

IUPAC6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NCc2c(Cl)cccc2OC)n1
InChIInChI=1S/C14H16ClN3O/c1-16-13-7-4-8-14(18-13)17-9-10-11(15)5-3-6-12(10)19-2/h3-8H,9H2,1-2H3,(H2,16,17,18)
InChIKeyPRMWIVFPIWVSFZ-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.40
Rot. Bonds5

About 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine

6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine (PubChem CID 103293605) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
PubChem CID103293605
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
SMILESCNc1cccc(NCc2c(Cl)cccc2OC)n1
InChIInChI=1S/C14H16ClN3O/c1-16-13-7-4-8-14(18-13)17-9-10-11(15)5-3-6-12(10)19-2/h3-8H,9H2,1-2H3,(H2,16,17,18)
InChIKeyPRMWIVFPIWVSFZ-UHFFFAOYSA-N
XLogP3.40
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 107874949
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 103293689
N-[(2-chloro-6-methoxyphenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 103292810
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoropyrimidin-4-amine
CID 103293215
N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 103293691
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103934009
4-[(2-chloro-6-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136782374
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
2-bromo-3-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]aniline
CID 103478606
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
2-N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxypyridine-2,3-diamine
CID 103291754
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136782373

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine (CID 103293605) is 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine is CNc1cccc(NCc2c(Cl)cccc2OC)n1.
What is the InChIKey of 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine?
The InChIKey is PRMWIVFPIWVSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-16-13-7-4-8-14(18-13)17-9-10-11(15)5-3-6-12(10)19-2/h3-8H,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine?
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine has a molecular weight of 277.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 103293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).