3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline

C19H23N — CID 141481871

IUPAC3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCC1Cc2ccccc2NC1c1ccccc1
InChIInChI=1S/C19H23N/c1-2-3-9-17-14-16-12-7-8-13-18(16)20-19(17)15-10-5-4-6-11-15/h4-8,10-13,17,19-20H,2-3,9,14H2,1H3
InChIKeyAHASVTJTBMKHRN-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.20
Rot. Bonds4

About 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline

3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 141481871) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID141481871
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCCCCC1Cc2ccccc2NC1c1ccccc1
InChIInChI=1S/C19H23N/c1-2-3-9-17-14-16-12-7-8-13-18(16)20-19(17)15-10-5-4-6-11-15/h4-8,10-13,17,19-20H,2-3,9,14H2,1H3
InChIKeyAHASVTJTBMKHRN-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 141481871) is 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline is CCCCC1Cc2ccccc2NC1c1ccccc1.
What is the InChIKey of 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is AHASVTJTBMKHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-2-3-9-17-14-16-12-7-8-13-18(16)20-19(17)15-10-5-4-6-11-15/h4-8,10-13,17,19-20H,2-3,9,14H2,1H3.
What are the key properties of 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 141481871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).