2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline

C16H16ClN — CID 65042198

IUPAC2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESClc1ccccc1CC1CCc2ccccc2N1
InChIInChI=1S/C16H16ClN/c17-15-7-3-1-6-13(15)11-14-10-9-12-5-2-4-8-16(12)18-14/h1-8,14,18H,9-11H2
InChIKeyJALXRIDNLDQZDD-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.31
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline

2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 65042198) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID65042198
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline
SMILESClc1ccccc1CC1CCc2ccccc2N1
InChIInChI=1S/C16H16ClN/c17-15-7-3-1-6-13(15)11-14-10-9-12-5-2-4-8-16(12)18-14/h1-8,14,18H,9-11H2
InChIKeyJALXRIDNLDQZDD-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-[1-(4-chlorophenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylpropan-1-amine
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((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)methanamine
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2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethanamine
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N-[(4-chlorophenyl)methyl]aniline
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4-Phenyl-1,2,3,4-tetrahydroquinoline
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline (CID 65042198) is 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline is Clc1ccccc1CC1CCc2ccccc2N1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is JALXRIDNLDQZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c17-15-7-3-1-6-13(15)11-14-10-9-12-5-2-4-8-16(12)18-14/h1-8,14,18H,9-11H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline?
2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 257.76 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 65042198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).