1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline

C19H22ClN — CID 82214339

IUPAC1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(C(Cl)CN2CCCc3ccccc32)cc1C
InChIInChI=1S/C19H22ClN/c1-14-9-10-17(12-15(14)2)18(20)13-21-11-5-7-16-6-3-4-8-19(16)21/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3
InChIKeyXKGFVNTYQOSZEA-UHFFFAOYSA-N
MW299.85 g/mol
LogP5.04
Rot. Bonds3

About 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline

1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline (PubChem CID 82214339) has the molecular formula C19H22ClN and a molecular weight of 299.85 g/mol. Its IUPAC name is 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline
PubChem CID82214339
Molecular FormulaC19H22ClN
Molecular Weight299.85 g/mol
Exact Mass299.14
IUPAC Name1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline
SMILESCc1ccc(C(Cl)CN2CCCc3ccccc32)cc1C
InChIInChI=1S/C19H22ClN/c1-14-9-10-17(12-15(14)2)18(20)13-21-11-5-7-16-6-3-4-8-19(16)21/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3
InChIKeyXKGFVNTYQOSZEA-UHFFFAOYSA-N
XLogP5.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.85
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 2099393
2-(3,4-dihydro-2H-quinolin-1-yl)-1-naphthalen-2-ylethanol
CID 82216010
2-(2,3-dihydroindol-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8704387
1-[2-(bromomethyl)butyl]-3,4-dihydro-2H-quinoline
CID 65000659
4-[2-chloro-2-(3,4-dimethylphenyl)ethyl]morpholine
CID 82214335
1-(3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-2-amine
CID 81101379
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 16793669
2-(3-chloro-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 106817234
3-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 62618632
(2S,11R)-1,12-bis(3,4-dihydro-2H-quinolin-1-yl)dodecane-2,11-diol
CID 92532372
4-(3,4-dihydro-2H-quinolin-1-yl)-N-methylbutan-1-amine
CID 60840995

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline (CID 82214339) is 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline is Cc1ccc(C(Cl)CN2CCCc3ccccc32)cc1C.
What is the InChIKey of 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline?
The InChIKey is XKGFVNTYQOSZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN/c1-14-9-10-17(12-15(14)2)18(20)13-21-11-5-7-16-6-3-4-8-19(16)21/h3-4,6,8-10,12,18H,5,7,11,13H2,1-2H3.
What are the key properties of 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline?
1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline has a molecular weight of 299.85 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(3,4-dimethylphenyl)ethyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 82214339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).