3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine

C20H27ClN2O — CID 56993004

IUPAC3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine
SMILESCCC(CCN)c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
InChIInChI=1S/C20H27ClN2O/c1-6-16(7-8-22)18-11-14(4)23-20(15(18)5)24-19-12(2)9-17(21)10-13(19)3/h9-11,16H,6-8,22H2,1-5H3
InChIKeyZSHTYVIGVUKQKQ-UHFFFAOYSA-N
MW346.90 g/mol
LogP5.60
Rot. Bonds6

About 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine

3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine (PubChem CID 56993004) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine.

Molecular Properties

Compound Name3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine
PubChem CID56993004
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine
SMILESCCC(CCN)c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
InChIInChI=1S/C20H27ClN2O/c1-6-16(7-8-22)18-11-14(4)23-20(15(18)5)24-19-12(2)9-17(21)10-13(19)3/h9-11,16H,6-8,22H2,1-5H3
InChIKeyZSHTYVIGVUKQKQ-UHFFFAOYSA-N
XLogP5.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.90
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine with MolForge

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Related Compounds

4-(3-deuteriopentan-3-yl)-3,6-dimethyl-2-(2,4,6-trimethylphenoxy)pyridine
CID 56980443
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 63518405
2-(4-chloro-2,6-dimethylphenoxy)-6-methyl-4-(1-oxobutan-2-ylamino)pyridine-3-carboxamide
CID 86584332
6-methyl-4-pentan-3-yl-8-(2,4,6-trimethylphenoxy)-1,7-naphthyridine
CID 18386670
2-(4-chloro-2,6-dimethylphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175403
6-(4-chloro-2,6-dimethylphenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80988356
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80862724
methyl 4-chloro-2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-3-carboxylate
CID 24806260
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-amine
CID 115995513
[6-(4-chloro-2,6-dimethylphenoxy)-2-pyridinyl]methanamine
CID 62296897
2-(4-chloro-2,6-dimethylphenoxy)-N-(1-methoxybutan-2-yl)-6-methylpyridin-4-amine
CID 22603159
6-methyl-5-pentan-3-yl-2-(2,4,6-trimethylphenoxy)pyridine-3,4-diamine
CID 86759589

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine?
The IUPAC name of 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine (CID 56993004) is 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine.
What is the SMILES notation for 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine?
The canonical SMILES for 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine is CCC(CCN)c1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C.
What is the InChIKey of 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine?
The InChIKey is ZSHTYVIGVUKQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-6-16(7-8-22)18-11-14(4)23-20(15(18)5)24-19-12(2)9-17(21)10-13(19)3/h9-11,16H,6-8,22H2,1-5H3.
What are the key properties of 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine?
3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine has a molecular weight of 346.90 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-4-pyridinyl]pentan-1-amine is sourced from PubChem (CID 56993004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).