4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine

C15H22F2N2 — CID 79120793

IUPAC4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCC(c1c(F)cccc1F)N(C)C1CCC(N)CC1
InChIInChI=1S/C15H22F2N2/c1-10(15-13(16)4-3-5-14(15)17)19(2)12-8-6-11(18)7-9-12/h3-5,10-12H,6-9,18H2,1-2H3
InChIKeyCOJCFFKPNZULSM-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.23
Rot. Bonds3

About 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79120793) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79120793
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCC(c1c(F)cccc1F)N(C)C1CCC(N)CC1
InChIInChI=1S/C15H22F2N2/c1-10(15-13(16)4-3-5-14(15)17)19(2)12-8-6-11(18)7-9-12/h3-5,10-12H,6-9,18H2,1-2H3
InChIKeyCOJCFFKPNZULSM-UHFFFAOYSA-N
XLogP3.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(2,6-difluorophenyl)ethyl]cyclohexane-1,4-diamine
CID 62314218
1-(2-chloro-6-fluorophenyl)-N-(4-ethylcyclohexyl)-N-methylethane-1,2-diamine
CID 63470631
4-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine
CID 18419789
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N-methylazetidin-3-amine
CID 113389278
2-(1-aminoethyl)-N-cyclopropyl-N-ethyl-3-fluoroaniline
CID 43264288
2-[(1R)-1-aminoethyl]-N-cyclobutyl-3-fluoro-N-methylaniline
CID 104873538
4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149918
N-[2-(1-aminoethyl)-3-fluorophenyl]-N-methylcycloheptanamine
CID 43614150
4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115999
(1R)-1-[2-fluoro-6-[methyl-(4-methylcyclohexyl)amino]phenyl]ethanol
CID 63371251
(1S)-1-[2-[cyclopropyl(ethyl)amino]-6-fluorophenyl]ethanol
CID 78939475
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine (CID 79120793) is 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine is CC(c1c(F)cccc1F)N(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is COJCFFKPNZULSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-10(15-13(16)4-3-5-14(15)17)19(2)12-8-6-11(18)7-9-12/h3-5,10-12H,6-9,18H2,1-2H3.
What are the key properties of 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 268.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,6-difluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79120793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).