ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline

C15H25NO — CID 145341641

IUPACethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCC.CCOc1c(C)c(C)nc2c1CCCC2
InChIInChI=1S/C13H19NO.C2H6/c1-4-15-13-9(2)10(3)14-12-8-6-5-7-11(12)13;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyPKVVVNIEAHJYPR-UHFFFAOYSA-N
MW235.37 g/mol
LogP4.00
Rot. Bonds2

About ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline

ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline (PubChem CID 145341641) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Nameethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline
PubChem CID145341641
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Nameethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline
SMILESCC.CCOc1c(C)c(C)nc2c1CCCC2
InChIInChI=1S/C13H19NO.C2H6/c1-4-15-13-9(2)10(3)14-12-8-6-5-7-11(12)13;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyPKVVVNIEAHJYPR-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-2-methyl-3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-5,6,7,8-tetrahydroquinoline
CID 129285852
4-ethoxy-2-fluoro-3-methoxy-5,6-dimethylpyridine
CID 69022167
3-[[5-(4-ethoxy-2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)-2-pyridinyl]oxy]-2-methylbenzoic acid
CID 155091127
2-ethoxy-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 58336219
4-ethoxy-5,6,7,8-tetrahydroquinoline
CID 66713972
4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351532
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydrocyclodeca[d]pyrimidine
CID 123799232
ethane;1,3,4-trimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 169136046
1,2,3,4,5-pentaethoxy-6-methylbenzene
CID 173439159
(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 63482617
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline (CID 145341641) is ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline is CC.CCOc1c(C)c(C)nc2c1CCCC2.
What is the InChIKey of ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is PKVVVNIEAHJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO.C2H6/c1-4-15-13-9(2)10(3)14-12-8-6-5-7-11(12)13;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline?
ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 235.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-2,3-dimethyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 145341641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).