6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline

C17H19NO — CID 62500963

IUPAC6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(-c2ccc3c(c2)CCCN3)cc1C
InChIInChI=1S/C17H19NO/c1-12-10-13(6-8-17(12)19-2)14-5-7-16-15(11-14)4-3-9-18-16/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyOHYWIPSUCAPKEZ-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.03
Rot. Bonds2

About 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline

6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 62500963) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID62500963
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(-c2ccc3c(c2)CCCN3)cc1C
InChIInChI=1S/C17H19NO/c1-12-10-13(6-8-17(12)19-2)14-5-7-16-15(11-14)4-3-9-18-16/h5-8,10-11,18H,3-4,9H2,1-2H3
InChIKeyOHYWIPSUCAPKEZ-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645
6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 55079489
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
6-(2,3,4,5,6-pentamethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 63424137
6-(4-methoxy-1-methylpyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
CID 106781305
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
6-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62502822
6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63970758
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
6-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroquinoline
CID 55197505

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline (CID 62500963) is 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline is COc1ccc(-c2ccc3c(c2)CCCN3)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is OHYWIPSUCAPKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-10-13(6-8-17(12)19-2)14-5-7-16-15(11-14)4-3-9-18-16/h5-8,10-11,18H,3-4,9H2,1-2H3.
What are the key properties of 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline?
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 253.34 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 62500963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).