4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine

C15H21NO — CID 114270095

IUPAC4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=C(c2cccc(OC(C)C)c2)CNCC1
InChIInChI=1S/C15H21NO/c1-11(2)17-14-6-4-5-13(9-14)15-10-16-8-7-12(15)3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyZIDADJHAGFLYCC-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds3

About 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine

4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine (PubChem CID 114270095) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine
PubChem CID114270095
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=C(c2cccc(OC(C)C)c2)CNCC1
InChIInChI=1S/C15H21NO/c1-11(2)17-14-6-4-5-13(9-14)15-10-16-8-7-12(15)3/h4-6,9,11,16H,7-8,10H2,1-3H3
InChIKeyZIDADJHAGFLYCC-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-propan-2-yloxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224952
4-(3-propan-2-yloxyphenyl)benzenethiol
CID 91656133
2,5-dimethyl-3-(3-propan-2-yloxyphenyl)pyrazine
CID 56719109
3-methyl-5-(3-propan-2-yloxyphenyl)aniline
CID 107579616
1-methyl-4-(3-propan-2-yloxyphenyl)-3,6-dihydro-2H-pyridine
CID 118239176
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
4-chloro-5-iodo-6-methyl-2-(3-propan-2-yloxyphenyl)pyrimidine
CID 66313598
5-(3-methylphenyl)-1,2,3,6-tetrahydropyridine-4-carboxylic acid
CID 105471112
2-(3-propan-2-yloxyphenyl)pyridine
CID 70320352
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
3-amino-6-(3-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82467053
2-fluoro-4-(3-propan-2-yloxyphenyl)phenol
CID 83130174

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine (CID 114270095) is 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine is CC1=C(c2cccc(OC(C)C)c2)CNCC1.
What is the InChIKey of 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is ZIDADJHAGFLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)17-14-6-4-5-13(9-14)15-10-16-8-7-12(15)3/h4-6,9,11,16H,7-8,10H2,1-3H3.
What are the key properties of 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine?
4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-propan-2-yloxyphenyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 114270095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).