N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline

C14H21F2N — CID 22638194

IUPACN-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CN(CC)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2N/c1-4-6-11(3)10-17(5-2)14-9-12(15)7-8-13(14)16/h7-9,11H,4-6,10H2,1-3H3
InChIKeyDNJHQDLSEPLRAW-UHFFFAOYSA-N
MW241.32 g/mol
LogP4.23
Rot. Bonds6

About N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline

N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline (PubChem CID 22638194) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline.

Molecular Properties

Compound NameN-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
PubChem CID22638194
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline
SMILESCCCC(C)CN(CC)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2N/c1-4-6-11(3)10-17(5-2)14-9-12(15)7-8-13(14)16/h7-9,11H,4-6,10H2,1-3H3
InChIKeyDNJHQDLSEPLRAW-UHFFFAOYSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N-ethyl-4-fluoro-2-N-(2-methylbutyl)benzene-1,2-diamine
CID 79477918
3-(2,5-difluoro-N-propylanilino)-2-methylpropanoic acid
CID 82317919
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
CID 113440602
N-ethyl-N-(5-ethyl-2-methyloctyl)-2,3,4,5-tetrafluoroaniline
CID 22638279
2-[ethyl(2-methylbutyl)amino]-5-fluorobenzaldehyde
CID 79477155
3-[2,5-difluoro-N-(2-methylpropyl)anilino]-2-methylpropanoic acid
CID 82319387
3-[2,5-difluoro-N-(3-methylbutyl)anilino]-2-methylpropanoic acid
CID 82319216
2-[(tert-butylamino)methyl]-N-ethyl-4-fluoro-N-(2-methylbutyl)aniline
CID 79480861
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
N-[1-(2,5-difluorophenyl)ethyl]pentan-2-amine
CID 43191491
N-(3-ethylheptyl)-2,5-difluoro-N-hexylaniline
CID 18388713
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-ethylbutyl)-4-fluoroaniline
CID 63368605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline?
The IUPAC name of N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline (CID 22638194) is N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline.
What is the SMILES notation for N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline?
The canonical SMILES for N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline is CCCC(C)CN(CC)c1cc(F)ccc1F.
What is the InChIKey of N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline?
The InChIKey is DNJHQDLSEPLRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-4-6-11(3)10-17(5-2)14-9-12(15)7-8-13(14)16/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline?
N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline has a molecular weight of 241.32 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5-difluoro-N-(2-methylpentyl)aniline is sourced from PubChem (CID 22638194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).