N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine

C12H16F2N2 — CID 115206849

IUPACN-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2/c1-16(7-6-15-9-2-3-9)10-4-5-11(13)12(14)8-10/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyYEJDATHQYUGIKY-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.15
Rot. Bonds5

About N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 115206849) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID115206849
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC NameN-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2/c1-16(7-6-15-9-2-3-9)10-4-5-11(13)12(14)8-10/h4-5,8-9,15H,2-3,6-7H2,1H3
InChIKeyYEJDATHQYUGIKY-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(4-propylphenyl)ethane-1,2-diamine
CID 115206831
N-cyclohexyl-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085371
N'-(4-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62554132
N-cyclopropyl-N'-methyl-N'-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 115206869
N-cyclopropyl-N'-methyl-N'-(4-methylphenyl)butane-1,4-diamine
CID 62429801
6-[2-(cyclopropylamino)ethyl-methylamino]-3H-1,3-benzoxazol-2-one
CID 115206901
N'-(4-fluorophenyl)-N'-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 62554580
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
N-cycloheptyl-N'-(3,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 63504270
N-cyclopropyl-N'-[(2,4-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62195867
N-(1,1-dioxothiolan-3-yl)-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 62556064
N-cyclopropyl-N'-methyl-N'-(3-methylphenyl)pentane-1,5-diamine
CID 55072163

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine (CID 115206849) is N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine is CN(CCNC1CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is YEJDATHQYUGIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c1-16(7-6-15-9-2-3-9)10-4-5-11(13)12(14)8-10/h4-5,8-9,15H,2-3,6-7H2,1H3.
What are the key properties of N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 226.27 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115206849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).