7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline

C19H23NO — CID 107313986

IUPAC7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CCCCOc2ccc3c(c2)NCCC3)cc1
InChIInChI=1S/C19H23NO/c1-2-7-16(8-3-1)9-4-5-14-21-18-12-11-17-10-6-13-20-19(17)15-18/h1-3,7-8,11-12,15,20H,4-6,9-10,13-14H2
InChIKeyGTAFGAHOGNFNSU-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.45
Rot. Bonds6

About 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline

7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline (PubChem CID 107313986) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
PubChem CID107313986
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline
SMILESc1ccc(CCCCOc2ccc3c(c2)NCCC3)cc1
InChIInChI=1S/C19H23NO/c1-2-7-16(8-3-1)9-4-5-14-21-18-12-11-17-10-6-13-20-19(17)15-18/h1-3,7-8,11-12,15,20H,4-6,9-10,13-14H2
InChIKeyGTAFGAHOGNFNSU-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.45
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

4-(1,2,3,4-tetrahydroquinolin-7-yloxy)butan-1-ol
CID 107313916
7-pentoxy-1,2,3,4-tetrahydroquinoline
CID 107313970
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
7-[2-(3-methoxypropoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107314042
7-[2-(2,2,2-trifluoroethoxy)ethoxy]-1,2,3,4-tetrahydroquinoline
CID 107313941
7-octyl-1,2,3,4-tetrahydroquinoline
CID 106778470
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
N-(3-methylbutan-2-yl)-2-(1,2,3,4-tetrahydroquinolin-7-yloxy)acetamide
CID 107313957
2-fluoro-1-methyl-4-(4-phenylbutoxy)benzene
CID 107171456
7-(thiolan-3-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 115075504

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline (CID 107313986) is 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline is c1ccc(CCCCOc2ccc3c(c2)NCCC3)cc1.
What is the InChIKey of 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline?
The InChIKey is GTAFGAHOGNFNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-7-16(8-3-1)9-4-5-14-21-18-12-11-17-10-6-13-20-19(17)15-18/h1-3,7-8,11-12,15,20H,4-6,9-10,13-14H2.
What are the key properties of 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline?
7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline has a molecular weight of 281.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylbutoxy)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 107313986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).