2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine

C19H25ClN2O2 — CID 22603159

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine
SMILESCCC(COC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C19H25ClN2O2/c1-6-16(11-23-5)22-17-9-14(4)21-18(10-17)24-19-12(2)7-15(20)8-13(19)3/h7-10,16H,6,11H2,1-5H3,(H,21,22)
InChIKeyKVQOLYNMNQTDNS-UHFFFAOYSA-N
MW348.87 g/mol
LogP5.29
Rot. Bonds7

About 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine

2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine (PubChem CID 22603159) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine
PubChem CID22603159
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine
SMILESCCC(COC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1
InChIInChI=1S/C19H25ClN2O2/c1-6-16(11-23-5)22-17-9-14(4)21-18(10-17)24-19-12(2)7-15(20)8-13(19)3/h7-10,16H,6,11H2,1-5H3,(H,21,22)
InChIKeyKVQOLYNMNQTDNS-UHFFFAOYSA-N
XLogP5.29
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.87
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine with MolForge

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Related Compounds

N-(1-methoxybutan-2-yl)-5-methylpyridin-3-amine
CID 115922303
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769235
N-(1-methoxybutan-2-yl)-1,4-dimethylimidazol-2-amine
CID 106574698
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
CID 107619352
2-chloro-4-N-(1,3-dimethoxypropan-2-yl)-6-methylpyridine-3,4-diamine
CID 18689798
3-(4-chloro-2-methylphenyl)-N-(1-methoxybutan-2-yl)-5-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 135389997
2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide
CID 86584332
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)pyridine
CID 63586143
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905
[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62296897

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine (CID 22603159) is 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine is CCC(COC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine?
The InChIKey is KVQOLYNMNQTDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c1-6-16(11-23-5)22-17-9-14(4)21-18(10-17)24-19-12(2)7-15(20)8-13(19)3/h7-10,16H,6,11H2,1-5H3,(H,21,22).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine?
2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine has a molecular weight of 348.87 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine is sourced from PubChem (CID 22603159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).