N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine

C16H21FN2 — CID 103996194

IUPACN-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2cc(F)c(C)cc12
InChIInChI=1S/C16H21FN2/c1-6-18-16-12-7-10(4)13(17)8-14(12)19-11(5)15(16)9(2)3/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyFNENBGPTWDEAFC-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.55
Rot. Bonds3

About N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine

N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine (PubChem CID 103996194) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
PubChem CID103996194
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC NameN-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2cc(F)c(C)cc12
InChIInChI=1S/C16H21FN2/c1-6-18-16-12-7-10(4)13(17)8-14(12)19-11(5)15(16)9(2)3/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyFNENBGPTWDEAFC-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine
CID 62203936
5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107370593
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
N-ethyl-7-fluoro-6-methyl-2-propylquinolin-4-amine
CID 103996204
8-fluoro-2,6-dimethyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 63479938
4-chloro-6,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 62913699
N-ethyl-2-methyl-3-propan-2-ylbenzo[h]quinolin-4-amine
CID 63480758
N-ethyl-2-(4-fluoro-3-methylphenyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 63485270
6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62913667
(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
CID 103996238
6-fluoro-7-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 103996222
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 103996873

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine (CID 103996194) is N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine is CCNc1c(C(C)C)c(C)nc2cc(F)c(C)cc12.
What is the InChIKey of N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is FNENBGPTWDEAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-6-18-16-12-7-10(4)13(17)8-14(12)19-11(5)15(16)9(2)3/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine?
N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 260.36 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-fluoro-2,6-dimethyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 103996194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).