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

C16H24F2N2 — CID 107519801

IUPACN'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)c(F)c1)C1CCCCCC1
InChIInChI=1S/C16H24F2N2/c1-20(13-6-4-2-3-5-7-13)11-16(19)12-8-9-14(17)15(18)10-12/h8-10,13,16H,2-7,11,19H2,1H3
InChIKeyAPEOUFMMMDDXCT-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds4

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

N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 107519801) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID107519801
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC(N)c1ccc(F)c(F)c1)C1CCCCCC1
InChIInChI=1S/C16H24F2N2/c1-20(13-6-4-2-3-5-7-13)11-16(19)12-8-9-14(17)15(18)10-12/h8-10,13,16H,2-7,11,19H2,1H3
InChIKeyAPEOUFMMMDDXCT-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
N'-cyclohexyl-N'-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308548
N'-cyclopentyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methylethane-1,2-diamine
CID 43267145
N-cyclohexyl-1-(3,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 16783993
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
2-[cyclopentyl(ethyl)amino]-1-(3,4-difluorophenyl)ethanol
CID 110898003
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 107520231
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine (CID 107519801) is N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine is CN(CC(N)c1ccc(F)c(F)c1)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is APEOUFMMMDDXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-20(13-6-4-2-3-5-7-13)11-16(19)12-8-9-14(17)15(18)10-12/h8-10,13,16H,2-7,11,19H2,1H3.
What are the key properties of N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine?
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107519801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).