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

C18H21NO2 — CID 61027161

IUPAC8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(OCCCOc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21NO2/c1-2-9-16(10-3-1)20-13-6-14-21-17-11-4-7-15-8-5-12-19-18(15)17/h1-4,7,9-11,19H,5-6,8,12-14H2
InChIKeyLVMMNTYIDVAGGJ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.89
Rot. Bonds6

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

8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 61027161) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID61027161
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(OCCCOc2cccc3c2NCCC3)cc1
InChIInChI=1S/C18H21NO2/c1-2-9-16(10-3-1)20-13-6-14-21-17-11-4-7-15-8-5-12-19-18(15)17/h1-4,7,9-11,19H,5-6,8,12-14H2
InChIKeyLVMMNTYIDVAGGJ-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
CID 10631987
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
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-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
8-(2,3-dihydro-1-benzothiophen-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 79228546
8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224011
1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
CID 63901925
8-[(2-methyloxan-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075614

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline (CID 61027161) is 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline is c1ccc(OCCCOc2cccc3c2NCCC3)cc1.
What is the InChIKey of 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LVMMNTYIDVAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-9-16(10-3-1)20-13-6-14-21-17-11-4-7-15-8-5-12-19-18(15)17/h1-4,7,9-11,19H,5-6,8,12-14H2.
What are the key properties of 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline?
8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 283.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 61027161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).