2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride

C10H13Cl2N — CID 138374175

IUPAC2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.ClCc1ccc2c(n1)CCCC2
InChIInChI=1S/C10H12ClN.ClH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h5-6H,1-4,7H2;1H
InChIKeyONLOGKYQTRVNFI-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.12
Rot. Bonds1

About 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride

2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride (PubChem CID 138374175) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
PubChem CID138374175
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride
SMILESCl.ClCc1ccc2c(n1)CCCC2
InChIInChI=1S/C10H12ClN.ClH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h5-6H,1-4,7H2;1H
InChIKeyONLOGKYQTRVNFI-UHFFFAOYSA-N
XLogP3.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.12
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

2-(chloromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 122650556
5,6,7,8-tetrahydroquinolin-2-amine;hydrochloride
CID 174664559
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580407
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylmethyl)ethanamine
CID 130164614
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
CID 89010021
CID 89010021
6-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)hexanenitrile
CID 13133503
2-methoxy-5,6,7,8-tetrahydroquinoline
CID 18180283
(3S)-3-amino-10-(5,6,7,8-tetrahydroquinolin-2-yl)decan-2-one
CID 157367520
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
2-(2-methylphenyl)-5,6,7,8-tetrahydroquinoline
CID 22768993
ethane;N-methylmethanamine;2-methyl-5,6,7,8-tetrahydroquinoline
CID 165400143

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The IUPAC name of 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride (CID 138374175) is 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride is Cl.ClCc1ccc2c(n1)CCCC2.
What is the InChIKey of 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
The InChIKey is ONLOGKYQTRVNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN.ClH/c11-7-9-6-5-8-3-1-2-4-10(8)12-9;/h5-6H,1-4,7H2;1H.
What are the key properties of 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride?
2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride has a molecular weight of 218.13 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5,6,7,8-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 138374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).