7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

C14H23NO — CID 70584815

IUPAC7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCCOC1=CCC2C(=C1)NC(C)(C)CC2C
InChIInChI=1S/C14H23NO/c1-5-16-11-6-7-12-10(2)9-14(3,4)15-13(12)8-11/h6,8,10,12,15H,5,7,9H2,1-4H3
InChIKeyDVFHSSUFUXLRAF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.22
Rot. Bonds2

About 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline

7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (PubChem CID 70584815) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
PubChem CID70584815
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
SMILESCCOC1=CCC2C(=C1)NC(C)(C)CC2C
InChIInChI=1S/C14H23NO/c1-5-16-11-6-7-12-10(2)9-14(3,4)15-13(12)8-11/h6,8,10,12,15H,5,7,9H2,1-4H3
InChIKeyDVFHSSUFUXLRAF-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,4-Trimethyl-6-ethoxytetrahydroquinoline
CID 69727375
2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinolin-7-ol
CID 67783958
7-Methoxy-1,2,2,4-tetramethyl-3,4,4a,5-tetrahydroquinoline
CID 68130929
7-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
CID 70582307
8-methoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
CID 70582353
8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline
CID 70583199
1-Butyl-8-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydroquinoline
CID 70584769

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The IUPAC name of 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline (CID 70584815) is 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The canonical SMILES for 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is CCOC1=CCC2C(=C1)NC(C)(C)CC2C.
What is the InChIKey of 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
The InChIKey is DVFHSSUFUXLRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-16-11-6-7-12-10(2)9-14(3,4)15-13(12)8-11/h6,8,10,12,15H,5,7,9H2,1-4H3.
What are the key properties of 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline?
7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline has a molecular weight of 221.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2,2,4-trimethyl-3,4,4a,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 70584815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).