ethane;1-phenyl-3,4-dihydro-2H-quinoline

C19H27N — CID 145126037

IUPACethane;1-phenyl-3,4-dihydro-2H-quinoline
SMILESCC.CC.c1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C15H15N.2C2H6/c1-2-9-14(10-3-1)16-12-6-8-13-7-4-5-11-15(13)16;2*1-2/h1-5,7,9-11H,6,8,12H2;2*1-2H3
InChIKeyQMHPLXQQCKMFBD-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.82
Rot. Bonds1

About ethane;1-phenyl-3,4-dihydro-2H-quinoline

ethane;1-phenyl-3,4-dihydro-2H-quinoline (PubChem CID 145126037) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is ethane;1-phenyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Nameethane;1-phenyl-3,4-dihydro-2H-quinoline
PubChem CID145126037
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Nameethane;1-phenyl-3,4-dihydro-2H-quinoline
SMILESCC.CC.c1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C15H15N.2C2H6/c1-2-9-14(10-3-1)16-12-6-8-13-7-4-5-11-15(13)16;2*1-2/h1-5,7,9-11H,6,8,12H2;2*1-2H3
InChIKeyQMHPLXQQCKMFBD-UHFFFAOYSA-N
XLogP5.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
CID 28946417
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylbenzoic acid
CID 62136292
ethane;1-methyl-3,4-dihydro-2H-quinoline
CID 91236662
N-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanesulfonamide
CID 112986280
9-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]phenyl]carbazole
CID 90215596
3-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]propan-1-amine
CID 82304536
(1R)-1-[2-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanol
CID 55182824
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-3,4-dihydro-2H-quinoline?
The IUPAC name of ethane;1-phenyl-3,4-dihydro-2H-quinoline (CID 145126037) is ethane;1-phenyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for ethane;1-phenyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for ethane;1-phenyl-3,4-dihydro-2H-quinoline is CC.CC.c1ccc(N2CCCc3ccccc32)cc1.
What is the InChIKey of ethane;1-phenyl-3,4-dihydro-2H-quinoline?
The InChIKey is QMHPLXQQCKMFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N.2C2H6/c1-2-9-14(10-3-1)16-12-6-8-13-7-4-5-11-15(13)16;2*1-2/h1-5,7,9-11H,6,8,12H2;2*1-2H3.
What are the key properties of ethane;1-phenyl-3,4-dihydro-2H-quinoline?
ethane;1-phenyl-3,4-dihydro-2H-quinoline has a molecular weight of 269.43 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 145126037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).