1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline

C16H16ClN — CID 28946417

IUPAC1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
SMILESClCc1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16ClN/c17-12-13-7-9-15(10-8-13)18-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10H,3,5,11-12H2
InChIKeyLMGOZADOEDLNHT-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.51
Rot. Bonds2

About 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline

1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline (PubChem CID 28946417) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
PubChem CID28946417
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline
SMILESClCc1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C16H16ClN/c17-12-13-7-9-15(10-8-13)18-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10H,3,5,11-12H2
InChIKeyLMGOZADOEDLNHT-UHFFFAOYSA-N
XLogP4.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.51
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

3-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]propan-1-amine
CID 82304536
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
1-[2-chloro-4-(chloromethyl)phenyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 81152279
1-[4-(bromomethyl)phenyl]-2,3-dihydroindole
CID 107079450
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
1-(3-ethylphenyl)-3,4-dihydro-2H-quinoline
CID 67553271
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
1-[5-(chloromethyl)pyrazin-2-yl]-2,3,4,5-tetrahydro-1-benzazepine
CID 107373522
1-[4-(3,4-dihydro-2H-quinolin-1-yl)-2-methylphenyl]-N-methylmethanamine
CID 62134837
4-(3,4-dihydro-2H-quinolin-1-yl)-2-ethoxyaniline
CID 63670067
1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole
CID 59549688

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline (CID 28946417) is 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline is ClCc1ccc(N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline?
The InChIKey is LMGOZADOEDLNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c17-12-13-7-9-15(10-8-13)18-11-3-5-14-4-1-2-6-16(14)18/h1-2,4,6-10H,3,5,11-12H2.
What are the key properties of 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline?
1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline has a molecular weight of 257.76 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)phenyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 28946417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).