4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline

C18H21N — CID 142986299

IUPAC4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCCC1c2ccccc2NC(c2ccccc2)C1C
InChIInChI=1S/C18H21N/c1-3-15-13(2)18(14-9-5-4-6-10-14)19-17-12-8-7-11-16(15)17/h4-13,15,18-19H,3H2,1-2H3
InChIKeyWZTQYOHMPJDFLN-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.98
Rot. Bonds2

About 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline

4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline (PubChem CID 142986299) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
PubChem CID142986299
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
SMILESCCC1c2ccccc2NC(c2ccccc2)C1C
InChIInChI=1S/C18H21N/c1-3-15-13(2)18(14-9-5-4-6-10-14)19-17-12-8-7-11-16(15)17/h4-13,15,18-19H,3H2,1-2H3
InChIKeyWZTQYOHMPJDFLN-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001
(1S,2S,3S)-1-ethyl-2-methyl-3-phenyl-2,3-dihydro-1H-indene
CID 102284055
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
3-(2-phenyl-2,3-dihydro-1H-indol-3-yl)propanoic acid
CID 19348216
(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 70994764
(2R,3R)-3-butyl-4-ethyl-2-phenyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 143070033
(3aR,4R,9bS)-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 11870146
(3S,4R)-3,4-diphenyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 95561844
1-ethyl-2,3-diphenyl-2,3-dihydro-1H-indene
CID 57262344
4-phenyl-2-propyl-1,2,3,4-tetrahydroquinoline
CID 139220205
(2R,3R)-5-methyl-2,3-diphenyl-2,3-dihydro-1H-indole
CID 7057699
(2S,3R)-2-benzyl-3-phenyl-1,2,3,4-tetrahydroquinoxaline
CID 132596105

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline (CID 142986299) is 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline is CCC1c2ccccc2NC(c2ccccc2)C1C.
What is the InChIKey of 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WZTQYOHMPJDFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-15-13(2)18(14-9-5-4-6-10-14)19-17-12-8-7-11-16(15)17/h4-13,15,18-19H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline?
4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 251.37 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 142986299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).