6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

C18H21NO — CID 63970758

IUPAC6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(C)cc1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H21NO/c1-13-5-8-18(20-2)16(10-13)12-14-6-7-17-15(11-14)4-3-9-19-17/h5-8,10-11,19H,3-4,9,12H2,1-2H3
InChIKeyGBJNRCNYEAOQJP-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.95
Rot. Bonds3

About 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline

6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 63970758) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID63970758
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(C)cc1Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C18H21NO/c1-13-5-8-18(20-2)16(10-13)12-14-6-7-17-15(11-14)4-3-9-19-17/h5-8,10-11,19H,3-4,9,12H2,1-2H3
InChIKeyGBJNRCNYEAOQJP-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-methyl-1,2,3,4-tetrahydroquinoline;molecular iodine
CID 159662716
6-[(4-methoxy-1-methylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662277
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
5-[(2-methoxy-5-methylphenyl)methyl]-2-methylaniline
CID 82044512
6-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 63967612
6-[2-(2,4,6-trimethylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968458
(5-chloro-2-methoxyphenyl)-(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 116554437
6-(5-fluoro-2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 55079489
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-6-yl)methanamine
CID 61411757
8-methyl-2,3,4,5-tetrahydro-1H-1-benzazepine;molecular hydrogen
CID 143099737

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 63970758) is 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is COc1ccc(C)cc1Cc1ccc2c(c1)CCCN2.
What is the InChIKey of 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is GBJNRCNYEAOQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-5-8-18(20-2)16(10-13)12-14-6-7-17-15(11-14)4-3-9-19-17/h5-8,10-11,19H,3-4,9,12H2,1-2H3.
What are the key properties of 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline?
6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 267.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-5-methylphenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63970758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).