ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine

C15H20FN — CID 170624117

IUPACethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine
SMILESCC.CCc1c(F)ccc2cc(N)cc(C)c12
InChIInChI=1S/C13H14FN.C2H6/c1-3-11-12(14)5-4-9-7-10(15)6-8(2)13(9)11;1-2/h4-7H,3,15H2,1-2H3;1-2H3
InChIKeyHQMPGOMTEJWTDF-UHFFFAOYSA-N
MW233.33 g/mol
LogP4.46
Rot. Bonds1

About ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine

ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine (PubChem CID 170624117) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine.

Molecular Properties

Compound Nameethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine
PubChem CID170624117
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Nameethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine
SMILESCC.CCc1c(F)ccc2cc(N)cc(C)c12
InChIInChI=1S/C13H14FN.C2H6/c1-3-11-12(14)5-4-9-7-10(15)6-8(2)13(9)11;1-2/h4-7H,3,15H2,1-2H3;1-2H3
InChIKeyHQMPGOMTEJWTDF-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 54.46
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

5-ethyl-6,8-difluoro-4-methylnaphthalen-2-amine
CID 178101910
8-ethyl-7-fluoro-1-methyl-2H-isoquinolin-3-one
CID 176630900
ethane;4-fluoro-3-methylaniline
CID 142250330
5-[chloro(difluoro)methoxy]-4-ethyl-6-fluoronaphthalen-2-amine;ethane
CID 178101467
4-tert-butyl-5-ethyl-6-fluoronaphthalen-2-ol
CID 169009475
8-ethyl-7-fluoronaphthalen-1-ol;platinum
CID 177203434
8-(1-chloroethenyl)-7-methylnaphthalene-1,3-diamine;ethane;5-ethynyl-6-fluoro-4-methylnaphthalen-2-amine
CID 178161094
1-ethyl-2-fluoronaphthalene
CID 19065482
ethane;5,6,8-trifluoro-4-methylnaphthalen-2-amine
CID 176951368
5-bromo-4-methylnaphthalen-2-amine
CID 170624217
4-ethyl-5-ethynyl-6-methylnaphthalen-2-amine
CID 172514429
ethane;5-ethynyl-4-methylnaphthalen-2-amine
CID 166141695

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine?
The IUPAC name of ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine (CID 170624117) is ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine.
What is the SMILES notation for ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine?
The canonical SMILES for ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine is CC.CCc1c(F)ccc2cc(N)cc(C)c12.
What is the InChIKey of ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine?
The InChIKey is HQMPGOMTEJWTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN.C2H6/c1-3-11-12(14)5-4-9-7-10(15)6-8(2)13(9)11;1-2/h4-7H,3,15H2,1-2H3;1-2H3.
What are the key properties of ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine?
ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine has a molecular weight of 233.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-6-fluoro-4-methylnaphthalen-2-amine is sourced from PubChem (CID 170624117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).