8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline

C18H21NO — CID 28553513

IUPAC8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CCCOc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21NO/c1-2-7-15(8-3-1)9-6-14-20-17-12-4-10-16-11-5-13-19-18(16)17/h1-4,7-8,10,12,19H,5-6,9,11,13-14H2
InChIKeyWJFOVWCSTJJILH-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.06
Rot. Bonds5

About 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline

8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 28553513) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID28553513
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CCCOc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21NO/c1-2-7-15(8-3-1)9-6-14-20-17-12-4-10-16-11-5-13-19-18(16)17/h1-4,7-8,10,12,19H,5-6,9,11,13-14H2
InChIKeyWJFOVWCSTJJILH-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
CID 61027161
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
CID 10631987
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
N-ethyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 62324258
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79228546
8-[(1-methylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 54909171
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
CID 107313986
1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
CID 63901925
8-[(3-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 63423959

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline (CID 28553513) is 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline is c1ccc(CCCOc2cccc3c2NCCC3)cc1.
What is the InChIKey of 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WJFOVWCSTJJILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-7-15(8-3-1)9-6-14-20-17-12-4-10-16-11-5-13-19-18(16)17/h1-4,7-8,10,12,19H,5-6,9,11,13-14H2.
What are the key properties of 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline?
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 267.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 28553513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).