6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine

C14H16ClN3O — CID 80814732

IUPAC6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-16-13-5-4-6-14(18-13)17-12-9-10(19-2)7-8-11(12)15/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyVVZQQSJRPAIMOV-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.92
Rot. Bonds5

About 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine

6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (PubChem CID 80814732) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
PubChem CID80814732
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine
SMILESCCNc1cccc(Nc2cc(OC)ccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-16-13-5-4-6-14(18-13)17-12-9-10(19-2)7-8-11(12)15/h4-9H,3H2,1-2H3,(H2,16,17,18)
InChIKeyVVZQQSJRPAIMOV-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-(methoxymethyl)-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 71523843
4-N-(3-chlorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865788
N-(4-chloro-3-(3-methylbut-2-enyloxy)phenyl)pyridin-2-amine
CID 15956116
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
N-(2-chloro-5-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 22732437
5-chloro-4-N-(3-methoxyphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 126610862
1-(2-Chloro-4-methoxyphenyl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 75435298
6-N-(4-chlorophenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865831
6-chloro-N-(3-methoxyphenyl)-3-nitropyridin-2-amine
CID 15993476
(4,6-Dimethylpyrimidin-2-yl){[(2-chloro-5-phenoxyphenyl)amino]iminomethyl}amin e
CID 5981305
1-(5-Chloro-2-pyridinyl)-3-(3-methoxyphenyl)thiourea
CID 2731491
N-(3-Methoxyphenyl)pyridin-2-amine
CID 12695760

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine (CID 80814732) is 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is CCNc1cccc(Nc2cc(OC)ccc2Cl)n1.
What is the InChIKey of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
The InChIKey is VVZQQSJRPAIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-16-13-5-4-6-14(18-13)17-12-9-10(19-2)7-8-11(12)15/h4-9H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine?
6-N-(2-chloro-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine has a molecular weight of 277.76 g/mol, XLogP of 3.92, 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-5-methoxyphenyl)-2-N-ethylpyridine-2,6-diamine is sourced from PubChem (CID 80814732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).