5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline

C13H19NO — CID 117193828

IUPAC5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
SMILESCOc1cccc2c1CC(C)C(C)(C)N2
InChIInChI=1S/C13H19NO/c1-9-8-10-11(14-13(9,2)3)6-5-7-12(10)15-4/h5-7,9,14H,8H2,1-4H3
InChIKeyFJBLZJYUDQFIRJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.08
Rot. Bonds1

About 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline

5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline (PubChem CID 117193828) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
PubChem CID117193828
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline
SMILESCOc1cccc2c1CC(C)C(C)(C)N2
InChIInChI=1S/C13H19NO/c1-9-8-10-11(14-13(9,2)3)6-5-7-12(10)15-4/h5-7,9,14H,8H2,1-4H3
InChIKeyFJBLZJYUDQFIRJ-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

[(2S)-4-methoxy-2,3-dihydro-1H-indol-2-yl]methanol
CID 130665549
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
CID 105495080
methyl 2-ethyl-5-methoxy-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193420
(2R,3S)-5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130898771
(3aR,9aR)-8-methoxy-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indole
CID 54070919
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
8-methoxy-3,3-dimethyl-2,4-dihydro-1,4-benzoxazine
CID 115095090
5-methoxy-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84773577
(2S)-8-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 67639312
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504
ethane;5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 165394416
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline (CID 117193828) is 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline is COc1cccc2c1CC(C)C(C)(C)N2.
What is the InChIKey of 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is FJBLZJYUDQFIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-9-8-10-11(14-13(9,2)3)6-5-7-12(10)15-4/h5-7,9,14H,8H2,1-4H3.
What are the key properties of 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline?
5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 205.30 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,3-trimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 117193828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).