8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline

C17H19NO — CID 28509479

IUPAC8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc(OCc2cccc3c2NCCC3)c1
InChIInChI=1S/C17H19NO/c1-13-5-2-9-16(11-13)19-12-15-7-3-6-14-8-4-10-18-17(14)15/h2-3,5-7,9,11,18H,4,8,10,12H2,1H3
InChIKeyHNLFTAHIAFGEPH-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.93
Rot. Bonds3

About 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline

8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 28509479) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID28509479
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline
SMILESCc1cccc(OCc2cccc3c2NCCC3)c1
InChIInChI=1S/C17H19NO/c1-13-5-2-9-16(11-13)19-12-15-7-3-6-14-8-4-10-18-17(14)15/h2-3,5-7,9,11,18H,4,8,10,12H2,1H3
InChIKeyHNLFTAHIAFGEPH-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64989812
methyl 2-[6-(1,2,3,4-tetrahydroquinolin-8-ylmethoxy)-2,3-dihydro-1-benzofuran-3-yl]acetate
CID 59369310
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774
1-methyl-2-[(3-methylphenoxy)methyl]benzene
CID 60627935
N-methyl-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinolin-8-amine
CID 81214941
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-2-amine
CID 80648504
8-[(3-cyclopropyloxyphenyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114522671
8-[(5-fluoro-2-methoxyphenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 61027694
2,3,4,5-tetrahydro-1H-1-benzazepin-9-ylmethanamine
CID 84655683
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline (CID 28509479) is 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline is Cc1cccc(OCc2cccc3c2NCCC3)c1.
What is the InChIKey of 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is HNLFTAHIAFGEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-5-2-9-16(11-13)19-12-15-7-3-6-14-8-4-10-18-17(14)15/h2-3,5-7,9,11,18H,4,8,10,12H2,1H3.
What are the key properties of 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline?
8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 253.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methylphenoxy)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 28509479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).