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

C14H20F2N2 — CID 107520835

IUPACN'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC1CCC1)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-18(8-10-3-2-4-10)9-14(17)12-6-5-11(15)7-13(12)16/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeyJTORKMJEWBIUJE-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.70
Rot. Bonds5

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

N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine (PubChem CID 107520835) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
PubChem CID107520835
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine
SMILESCN(CC1CCC1)CC(N)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-18(8-10-3-2-4-10)9-14(17)12-6-5-11(15)7-13(12)16/h5-7,10,14H,2-4,8-9,17H2,1H3
InChIKeyJTORKMJEWBIUJE-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-(cyclobutylmethyl)-1-(2,4-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

1-(2,4-difluorophenyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 107521151
1-(2,4-difluorophenyl)-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylethane-1,2-diamine
CID 107522113
1-(2,5-difluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521297
2-[cyclobutylmethyl(methyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565104
1-(2,4-difluorophenyl)-2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 107520324
1-(2,4-difluorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519950
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
N'-(cyclopentylmethyl)-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 63632634
1-(2,5-difluorophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 107520814
N-cycloheptyl-1-(2,4-difluorophenyl)-N-methylethane-1,2-diamine
CID 43613899
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
1-(2,4-difluorophenyl)-2-(4-ethylazepan-1-yl)ethanamine
CID 107521390

Frequently Asked Questions

What is the IUPAC name of N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine (CID 107520835) is N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine is CN(CC1CCC1)CC(N)c1ccc(F)cc1F.
What is the InChIKey of N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine?
The InChIKey is JTORKMJEWBIUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-18(8-10-3-2-4-10)9-14(17)12-6-5-11(15)7-13(12)16/h5-7,10,14H,2-4,8-9,17H2,1H3.
What are the key properties of N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine?
N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-1-(2,4-difluorophenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107520835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).