(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline

C11H14ClN — CID 96570849

IUPAC(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1Cl)N[C@H](C)CC2
InChIInChI=1S/C11H14ClN/c1-7-5-9-4-3-8(2)13-11(9)6-10(7)12/h5-6,8,13H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyGTTBSKSOHRGXRD-MRVPVSSYSA-N
MW195.69 g/mol
LogP3.40
Rot. Bonds

About (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline

(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline (PubChem CID 96570849) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
PubChem CID96570849
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc2c(cc1Cl)N[C@H](C)CC2
InChIInChI=1S/C11H14ClN/c1-7-5-9-4-3-8(2)13-11(9)6-10(7)12/h5-6,8,13H,3-4H2,1-2H3/t8-/m1/s1
InChIKeyGTTBSKSOHRGXRD-MRVPVSSYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline (CID 96570849) is (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline is Cc1cc2c(cc1Cl)N[C@H](C)CC2.
What is the InChIKey of (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is GTTBSKSOHRGXRD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-7-5-9-4-3-8(2)13-11(9)6-10(7)12/h5-6,8,13H,3-4H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline?
(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 195.69 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 96570849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).