N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine

C14H20F2N2 — CID 106528693

IUPACN-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2/c15-11-6-10(7-12(16)8-11)14(9-17)18-13-4-2-1-3-5-13/h6-8,13-14,18H,1-5,9,17H2
InChIKeyVHICUGPEAUMODO-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.89
Rot. Bonds4

About N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine

N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine (PubChem CID 106528693) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
PubChem CID106528693
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
SMILESNCC(NC1CCCCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H20F2N2/c15-11-6-10(7-12(16)8-11)14(9-17)18-13-4-2-1-3-5-13/h6-8,13-14,18H,1-5,9,17H2
InChIKeyVHICUGPEAUMODO-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528632
N-cyclopentyl-1-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 65383732
2-cyclohexyl-2-(3,5-difluorophenyl)ethanamine
CID 79019412
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
CID 113469387
[2-cycloheptyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105301798
N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
CID 65381151
N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
CID 65380747
1-(4-chloro-2-fluorophenyl)-N-cyclohexylethane-1,2-diamine
CID 114843249
1-(7-chloro-1,3-benzodioxol-5-yl)-N-cycloheptylethane-1,2-diamine
CID 65381952
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine (CID 106528693) is N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine is NCC(NC1CCCCC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
The InChIKey is VHICUGPEAUMODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-11-6-10(7-12(16)8-11)14(9-17)18-13-4-2-1-3-5-13/h6-8,13-14,18H,1-5,9,17H2.
What are the key properties of N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine?
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine has a molecular weight of 254.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 106528693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).