N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine

C14H20F2N2 — CID 107519713

IUPACN'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2/c1-9(10-3-4-10)18(2)8-14(17)12-7-11(15)5-6-13(12)16/h5-7,9-10,14H,3-4,8,17H2,1-2H3
InChIKeyNSTYAIGZWIQHJJ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.69
Rot. Bonds5

About N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine

N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 107519713) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID107519713
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCC(C1CC1)N(C)CC(N)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2/c1-9(10-3-4-10)18(2)8-14(17)12-7-11(15)5-6-13(12)16/h5-7,9-10,14H,3-4,8,17H2,1-2H3
InChIKeyNSTYAIGZWIQHJJ-UHFFFAOYSA-N
XLogP2.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897757
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
1-(2,5-difluorophenyl)-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 107521267
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
N'-(1-cyclopropylethyl)-1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43569070
1-(2,5-difluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521297
N'-(1-cyclopropylethyl)-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61309492
N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107519718
1-(2,5-difluorophenyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107520054
1-(2,5-difluorophenyl)-3-ethylpentan-1-amine
CID 82922237
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

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine (CID 107519713) is N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine is CC(C1CC1)N(C)CC(N)c1cc(F)ccc1F.
What is the InChIKey of N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is NSTYAIGZWIQHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9(10-3-4-10)18(2)8-14(17)12-7-11(15)5-6-13(12)16/h5-7,9-10,14H,3-4,8,17H2,1-2H3.
What are the key properties of N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine?
N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-1-(2,5-difluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107519713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).