[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol

C12H17NO — CID 130701482

IUPAC[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESCCc1cccc2c1CC[C@@H](CO)N2
InChIInChI=1S/C12H17NO/c1-2-9-4-3-5-12-11(9)7-6-10(8-14)13-12/h3-5,10,13-14H,2,6-8H2,1H3/t10-/m0/s1
InChIKeyCOENLZYZTSJWCW-JTQLQIEISA-N
MW191.27 g/mol
LogP1.97
Rot. Bonds2

About [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol

[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol (PubChem CID 130701482) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
PubChem CID130701482
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol
SMILESCCc1cccc2c1CC[C@@H](CO)N2
InChIInChI=1S/C12H17NO/c1-2-9-4-3-5-12-11(9)7-6-10(8-14)13-12/h3-5,10,13-14H,2,6-8H2,1H3/t10-/m0/s1
InChIKeyCOENLZYZTSJWCW-JTQLQIEISA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl)methanol
CID 130040422
(2S)-5-ethyl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 130741224
[5-[(3S,5S)-5-(hydroxymethyl)piperidin-3-yl]-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 176569247
[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol
CID 130665549
4-ethyl-1-methyl-2,3-dihydro-1H-indene
CID 178109031
2,5-diethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84620474
2-ethyl-2,3-dihydro-1H-indol-4-ol
CID 119085836
4-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62390706
1-ethyl-3-[(5-methoxy-1,2,3,4-tetrahydroquinolin-2-yl)methyl]urea
CID 122188226
5-(hydroxymethyl)-1-methyl-8-octyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one
CID 73016378
[(2R)-7-methoxy-1,2,3,4-tetrahydroquinolin-2-yl]methanol
CID 130625960
4-ethyl-3-hydroxy-1,3-dihydroindol-2-one
CID 53484480

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The IUPAC name of [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol (CID 130701482) is [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol.
What is the SMILES notation for [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The canonical SMILES for [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol is CCc1cccc2c1CC[C@@H](CO)N2.
What is the InChIKey of [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
The InChIKey is COENLZYZTSJWCW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO/c1-2-9-4-3-5-12-11(9)7-6-10(8-14)13-12/h3-5,10,13-14H,2,6-8H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol?
[(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol has a molecular weight of 191.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-ethyl-1,2,3,4-tetrahydroquinolin-2-yl]methanol is sourced from PubChem (CID 130701482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).