(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline

C20H25N — CID 102479708

IUPAC(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline
SMILESCCC[C@H]1CCc2ccccc2N1[C@H](C)c1ccccc1
InChIInChI=1S/C20H25N/c1-3-9-19-15-14-18-12-7-8-13-20(18)21(19)16(2)17-10-5-4-6-11-17/h4-8,10-13,16,19H,3,9,14-15H2,1-2H3/t16-,19+/m1/s1
InChIKeyFWFDJCLQGMWKTR-APWZRJJASA-N
MW279.43 g/mol
LogP5.37
Rot. Bonds4

About (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline

(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline (PubChem CID 102479708) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline
PubChem CID102479708
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline
SMILESCCC[C@H]1CCc2ccccc2N1[C@H](C)c1ccccc1
InChIInChI=1S/C20H25N/c1-3-9-19-15-14-18-12-7-8-13-20(18)21(19)16(2)17-10-5-4-6-11-17/h4-8,10-13,16,19H,3,9,14-15H2,1-2H3/t16-,19+/m1/s1
InChIKeyFWFDJCLQGMWKTR-APWZRJJASA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline (CID 102479708) is (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline is CCC[C@H]1CCc2ccccc2N1[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline?
The InChIKey is FWFDJCLQGMWKTR-APWZRJJASA-N. The full InChI is InChI=1S/C20H25N/c1-3-9-19-15-14-18-12-7-8-13-20(18)21(19)16(2)17-10-5-4-6-11-17/h4-8,10-13,16,19H,3,9,14-15H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline?
(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline has a molecular weight of 279.43 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 102479708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).