(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline

C12H17N — CID 130741224

IUPAC(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCc1cccc2c1CC[C@H](C)N2
InChIInChI=1S/C12H17N/c1-3-10-5-4-6-12-11(10)8-7-9(2)13-12/h4-6,9,13H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyRXPONTVNCRYCPB-VIFPVBQESA-N
MW175.27 g/mol
LogP3.00
Rot. Bonds1

About (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline

(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 130741224) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID130741224
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCCc1cccc2c1CC[C@H](C)N2
InChIInChI=1S/C12H17N/c1-3-10-5-4-6-12-11(10)8-7-9(2)13-12/h4-6,9,13H,3,7-8H2,1-2H3/t9-/m0/s1
InChIKeyRXPONTVNCRYCPB-VIFPVBQESA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 130040422
[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130701482
(2S)-2,5-dimethyl-1,2,3,4-tetrahydroquinoline
CID 124706639
4-ethyl-1-methyl-2,3-dihydro-1H-indene
CID 178109031
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706
5-ethyl-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 57495738
(1S)-5-ethyl-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94423264
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
7-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 22759546
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12896817
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225

Frequently Asked Questions

What is the IUPAC name of (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline (CID 130741224) is (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline is CCc1cccc2c1CC[C@H](C)N2.
What is the InChIKey of (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is RXPONTVNCRYCPB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N/c1-3-10-5-4-6-12-11(10)8-7-9(2)13-12/h4-6,9,13H,3,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline?
(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 175.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130741224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).