6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

C12H16ClN — CID 105463734

IUPAC6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCNc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyWXAROJTYRWBBQI-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.90
Rot. Bonds1

About 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline

6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (PubChem CID 105463734) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
PubChem CID105463734
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)C1CCNc2ccc(Cl)cc21
InChIInChI=1S/C12H16ClN/c1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12/h3-4,7-8,10,14H,5-6H2,1-2H3
InChIKeyWXAROJTYRWBBQI-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142306893
9-chloro-1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,2-d][1]benzazepine
CID 171725247
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
3-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]phenol
CID 142307025
7-chloro-4-methyl-1,2,3,4-tetrahydroquinoline
CID 16744775
6-chloro-4-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 105493778
6-[(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 134345474
3-methoxy-1-[(4-propan-2-yl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-2,1,3-benzoxadiazole
CID 142307152
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
5-chloro-2-methylidene-3-propan-2-yl-1,3-dihydroindole
CID 163580754
2-(5-chloro-2,3-dihydro-1H-indol-3-yl)propan-2-ol
CID 117202115
4-(5-chloro-2-propan-2-ylphenyl)piperidine
CID 84700493

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline (CID 105463734) is 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is CC(C)C1CCNc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WXAROJTYRWBBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-8(2)10-5-6-14-12-4-3-9(13)7-11(10)12/h3-4,7-8,10,14H,5-6H2,1-2H3.
What are the key properties of 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline?
6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline has a molecular weight of 209.72 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-propan-2-yl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105463734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).