5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline

C11H14ClN — CID 70258531

IUPAC5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCC1c2cccc(Cl)c2CCN1C
InChIInChI=1S/C11H14ClN/c1-8-9-4-3-5-11(12)10(9)6-7-13(8)2/h3-5,8H,6-7H2,1-2H3
InChIKeyYPMDSEYMDUSTKZ-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.89
Rot. Bonds

About 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline

5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline (PubChem CID 70258531) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
PubChem CID70258531
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
SMILESCC1c2cccc(Cl)c2CCN1C
InChIInChI=1S/C11H14ClN/c1-8-9-4-3-5-11(12)10(9)6-7-13(8)2/h3-5,8H,6-7H2,1-2H3
InChIKeyYPMDSEYMDUSTKZ-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline (CID 70258531) is 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline is CC1c2cccc(Cl)c2CCN1C.
What is the InChIKey of 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is YPMDSEYMDUSTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-8-9-4-3-5-11(12)10(9)6-7-13(8)2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline?
5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 195.69 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 70258531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).