(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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Related Compounds

(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
CID 11402324
(2S)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 15304179
(2R)-1-[(1R)-1-phenylethyl]-3,4-dihydro-2H-quinoline-2-carbonitrile
CID 15304180
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
N-ethyl-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-amine
CID 55070460
N-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propyl]cyclopropanamine
CID 62423269
(1-octyl-3,4-dihydro-2H-quinolin-2-yl)methanamine
CID 63527317
2-(1-methyl-3,4-dihydro-2H-quinolin-2-yl)ethanamine
CID 84618930
3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide
CID 71850838
(3S)-1-methyl-4-[(1S)-1-phenylethyl]-3-propyl-3H-1,4-benzodiazepine-2,5-dione
CID 10544857
(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
CID 11414299
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677

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).