N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine

C16H24F2N2 — CID 43180409

IUPACN-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCCC1)C(CN)c1c(F)cccc1F
InChIInChI=1S/C16H24F2N2/c1-2-20(12-7-4-3-5-8-12)15(11-19)16-13(17)9-6-10-14(16)18/h6,9-10,12,15H,2-5,7-8,11,19H2,1H3
InChIKeyNEFUBYIEMKHLCI-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds5

About N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine

N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine (PubChem CID 43180409) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
PubChem CID43180409
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCCC1)C(CN)c1c(F)cccc1F
InChIInChI=1S/C16H24F2N2/c1-2-20(12-7-4-3-5-8-12)15(11-19)16-13(17)9-6-10-14(16)18/h6,9-10,12,15H,2-5,7-8,11,19H2,1H3
InChIKeyNEFUBYIEMKHLCI-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-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-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
1-(5-bromo-2-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 43540902
1-(3-chloro-4-fluorophenyl)-N-cyclopentyl-N-ethylethane-1,2-diamine
CID 81144764
N-cyclohexyl-N-ethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 43078748
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 16783431
1-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 55002058
N-cyclohexyl-1-(2-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 43180403
1-(3-chloro-5-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 114453222
N-cyclohexyl-1-(3,5-dichlorophenyl)-N-ethylethane-1,2-diamine
CID 60790302
N-cyclopentyl-1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 43540885
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
N-cyclopropyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethane-1,2-diamine
CID 114053998

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine (CID 43180409) is N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine is CCN(C1CCCCC1)C(CN)c1c(F)cccc1F.
What is the InChIKey of N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine?
The InChIKey is NEFUBYIEMKHLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-2-20(12-7-4-3-5-8-12)15(11-19)16-13(17)9-6-10-14(16)18/h6,9-10,12,15H,2-5,7-8,11,19H2,1H3.
What are the key properties of N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine?
N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,6-difluorophenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43180409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).