1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine

C13H21F2N3 — CID 107521267

IUPAC1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(C)CCN(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C13H21F2N3/c1-17(2)6-7-18(3)9-13(16)11-8-10(14)4-5-12(11)15/h4-5,8,13H,6-7,9,16H2,1-3H3
InChIKeyPBWQEIZSRMPUFC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.46
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine

1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine (PubChem CID 107521267) has the molecular formula C13H21F2N3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
PubChem CID107521267
Molecular FormulaC13H21F2N3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
SMILESCN(C)CCN(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C13H21F2N3/c1-17(2)6-7-18(3)9-13(16)11-8-10(14)4-5-12(11)15/h4-5,8,13H,6-7,9,16H2,1-3H3
InChIKeyPBWQEIZSRMPUFC-UHFFFAOYSA-N
XLogP1.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107520054
1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519713
1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 105395209
1-(2,5-difluorophenyl)-N'-ethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 107520140
1-(2,5-difluorophenyl)-N'-methyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 107520728
1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 43197844
1-(2,5-difluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521297
1-(2,5-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520677
(1R)-1-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171204248
N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 55228302
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine (CID 107521267) is 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine is CN(C)CCN(C)CC(N)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
The InChIKey is PBWQEIZSRMPUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3/c1-17(2)6-7-18(3)9-13(16)11-8-10(14)4-5-12(11)15/h4-5,8,13H,6-7,9,16H2,1-3H3.
What are the key properties of 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine?
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine has a molecular weight of 257.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107521267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).