5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine

C13H13F2N — CID 178101910

IUPAC5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine
SMILESCCc1c(F)cc(F)c2cc(N)cc(C)c12
InChIInChI=1S/C13H13F2N/c1-3-9-11(14)6-12(15)10-5-8(16)4-7(2)13(9)10/h4-6H,3,16H2,1-2H3
InChIKeyFYGUAKDVIDIGHM-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.57
Rot. Bonds1

About 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine

5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine (PubChem CID 178101910) has the molecular formula C13H13F2N and a molecular weight of 221.25 g/mol. Its IUPAC name is 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine.

Molecular Properties

Compound Name5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine
PubChem CID178101910
Molecular FormulaC13H13F2N
Molecular Weight221.25 g/mol
Exact Mass221.10
IUPAC Name5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine
SMILESCCc1c(F)cc(F)c2cc(N)cc(C)c12
InChIInChI=1S/C13H13F2N/c1-3-9-11(14)6-12(15)10-5-8(16)4-7(2)13(9)10/h4-6H,3,16H2,1-2H3
InChIKeyFYGUAKDVIDIGHM-UHFFFAOYSA-N
XLogP3.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
CID 176951368
ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine
CID 170624117
ethane;4-ethyl-3-fluoro-5-methylnaphthalene-1,7-diol
CID 176951343
ethane;2-ethyl-1,5-difluoro-3-methylbenzene
CID 142885639
ethane;2-ethyl-1-fluoro-3,5-dimethylbenzene
CID 170736558
3-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130883665
(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine
CID 79046124
3-fluoro-4-iodo-5-methylaniline
CID 131425548
2,3-dichloro-4-ethyl-1,5-difluorobenzene
CID 155190047
5-[dideuterio(fluoro)methoxy]-6,8-difluoro-4-propan-2-ylnaphthalen-2-amine
CID 176776095
2-ethyl-3,7-dimethyl-1H-indol-5-amine
CID 84661612
6-chloro-3-ethyl-8-fluoro-2-methylquinolin-4-amine
CID 62203950

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine?
The IUPAC name of 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine (CID 178101910) is 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine.
What is the SMILES notation for 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine?
The canonical SMILES for 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine is CCc1c(F)cc(F)c2cc(N)cc(C)c12.
What is the InChIKey of 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine?
The InChIKey is FYGUAKDVIDIGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N/c1-3-9-11(14)6-12(15)10-5-8(16)4-7(2)13(9)10/h4-6H,3,16H2,1-2H3.
What are the key properties of 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine?
5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine has a molecular weight of 221.25 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine is sourced from PubChem (CID 178101910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).