8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine

C14H16F2N2O — CID 62195939

IUPAC8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine
SMILESCCc1c(C)nc2c(OC(F)F)cccc2c1NC
InChIInChI=1S/C14H16F2N2O/c1-4-9-8(2)18-13-10(12(9)17-3)6-5-7-11(13)19-14(15)16/h5-7,14H,4H2,1-3H3,(H,17,18)
InChIKeyYRBNTWNDPQVQKK-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.75
Rot. Bonds4

About 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine

8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine (PubChem CID 62195939) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine.

Molecular Properties

Compound Name8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine
PubChem CID62195939
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine
SMILESCCc1c(C)nc2c(OC(F)F)cccc2c1NC
InChIInChI=1S/C14H16F2N2O/c1-4-9-8(2)18-13-10(12(9)17-3)6-5-7-11(13)19-14(15)16/h5-7,14H,4H2,1-3H3,(H,17,18)
InChIKeyYRBNTWNDPQVQKK-UHFFFAOYSA-N
XLogP3.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(difluoromethoxy)-2-methyl-N-propylquinolin-4-amine
CID 62198376
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
8-(difluoromethoxy)-2-(difluoromethyl)-N-propylquinolin-4-amine
CID 62892984
(3-ethyl-2,8-dimethylquinolin-4-yl)hydrazine
CID 62250072
3-ethyl-8-methoxy-2-methylquinolin-4-amine
CID 62203733
2-cyclopropyl-8-(difluoromethoxy)-N-methylquinolin-4-amine
CID 55188923
3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
CID 63480478
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
5-bromo-3-ethyl-8-methoxy-N,2-dimethylquinolin-4-amine
CID 63483485
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
2-tert-butyl-8-(difluoromethoxy)quinolin-4-amine
CID 62197887

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine?
The IUPAC name of 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine (CID 62195939) is 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine.
What is the SMILES notation for 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine?
The canonical SMILES for 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine is CCc1c(C)nc2c(OC(F)F)cccc2c1NC.
What is the InChIKey of 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine?
The InChIKey is YRBNTWNDPQVQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-4-9-8(2)18-13-10(12(9)17-3)6-5-7-11(13)19-14(15)16/h5-7,14H,4H2,1-3H3,(H,17,18).
What are the key properties of 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine?
8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine has a molecular weight of 266.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)-3-ethyl-N,2-dimethylquinolin-4-amine is sourced from PubChem (CID 62195939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).