N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine

C14H19F2NO — CID 103585048

IUPACN-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine
SMILESCCC1CC(Nc2cc(F)c(C)cc2F)CCO1
InChIInChI=1S/C14H19F2NO/c1-3-11-7-10(4-5-18-11)17-14-8-12(15)9(2)6-13(14)16/h6,8,10-11,17H,3-5,7H2,1-2H3
InChIKeyGEGADJMEOPNXAT-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.64
Rot. Bonds3

About N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine

N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine (PubChem CID 103585048) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine.

Molecular Properties

Compound NameN-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine
PubChem CID103585048
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC NameN-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine
SMILESCCC1CC(Nc2cc(F)c(C)cc2F)CCO1
InChIInChI=1S/C14H19F2NO/c1-3-11-7-10(4-5-18-11)17-14-8-12(15)9(2)6-13(14)16/h6,8,10-11,17H,3-5,7H2,1-2H3
InChIKeyGEGADJMEOPNXAT-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-difluoro-4-methyl-N-(3-methylsulfonylcyclohexyl)aniline
CID 103585711
2,5-difluoro-4-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 103584995
N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619416
N-(2-ethyloxan-4-yl)-5-methoxy-1-methylpyrazol-3-amine
CID 114255689
2-ethyl-N-[(1S)-1-(4-fluorophenyl)ethyl]oxan-4-amine
CID 81347446
2-ethyl-N-[(1S)-1-(3-fluorophenyl)ethyl]oxan-4-amine
CID 81365028
4-[(2-ethyloxan-4-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 65482793
2-ethyl-N-methoxyoxan-4-amine
CID 82706412
N-(3,5-dichloro-4-fluorophenyl)-2-propyloxan-4-amine
CID 107572986
N-(5-chloro-2-methyl-4-nitrophenyl)-2-propyloxan-4-amine
CID 104668013
N-(2,3-dihydro-1H-inden-2-yl)-2-ethyloxan-4-amine
CID 114008937
2-ethyl-N-(3-methylcyclopentyl)oxan-4-amine
CID 114543810

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine?
The IUPAC name of N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine (CID 103585048) is N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine.
What is the SMILES notation for N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine?
The canonical SMILES for N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine is CCC1CC(Nc2cc(F)c(C)cc2F)CCO1.
What is the InChIKey of N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine?
The InChIKey is GEGADJMEOPNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-3-11-7-10(4-5-18-11)17-14-8-12(15)9(2)6-13(14)16/h6,8,10-11,17H,3-5,7H2,1-2H3.
What are the key properties of N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine?
N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine has a molecular weight of 255.31 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluoro-4-methylphenyl)-2-ethyloxan-4-amine is sourced from PubChem (CID 103585048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).