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

C16H24F2N2 — CID 106528596

IUPAC1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2/c1-11-5-3-4-6-15(11)20(2)16(10-19)12-7-13(17)9-14(18)8-12/h7-9,11,15-16H,3-6,10,19H2,1-2H3
InChIKeyXOPYBYUTZYMVOG-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.48
Rot. Bonds4

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

1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 106528596) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID106528596
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCC1CCCCC1N(C)C(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C16H24F2N2/c1-11-5-3-4-6-15(11)20(2)16(10-19)12-7-13(17)9-14(18)8-12/h7-9,11,15-16H,3-6,10,19H2,1-2H3
InChIKeyXOPYBYUTZYMVOG-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (CID 106528596) is 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is CC1CCCCC1N(C)C(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is XOPYBYUTZYMVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-11-5-3-4-6-15(11)20(2)16(10-19)12-7-13(17)9-14(18)8-12/h7-9,11,15-16H,3-6,10,19H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 282.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 106528596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).