1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

C16H26F2N2 — CID 107520140

IUPAC1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C16H26F2N2/c1-4-12(5-2)10-20(6-3)11-16(19)14-9-13(17)7-8-15(14)18/h7-9,12,16H,4-6,10-11,19H2,1-3H3
InChIKeyYTVDZWOWQDXPEX-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.72
Rot. Bonds8

About 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine

1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (PubChem CID 107520140) has the molecular formula C16H26F2N2 and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
PubChem CID107520140
Molecular FormulaC16H26F2N2
Molecular Weight284.39 g/mol
Exact Mass284.21
IUPAC Name1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C16H26F2N2/c1-4-12(5-2)10-20(6-3)11-16(19)14-9-13(17)7-8-15(14)18/h7-9,12,16H,4-6,10-11,19H2,1-3H3
InChIKeyYTVDZWOWQDXPEX-UHFFFAOYSA-N
XLogP3.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
1-(2,5-difluorophenyl)-N'-ethyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 107520253
2-[2-(diethylamino)ethylsulfanyl]-1-(2,5-difluorophenyl)ethanamine
CID 107525314
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237
2-[(1R)-1-aminoethyl]-N-ethyl-N-(2-ethylbutyl)-4-fluoroaniline
CID 63368605
N'-[2-amino-2-(2,4-difluorophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107522172
1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine
CID 82923278
1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107520054
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine (CID 107520140) is 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is CCC(CC)CN(CC)CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
The InChIKey is YTVDZWOWQDXPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N2/c1-4-12(5-2)10-20(6-3)11-16(19)14-9-13(17)7-8-15(14)18/h7-9,12,16H,4-6,10-11,19H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine?
1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine has a molecular weight of 284.39 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 107520140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).