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

C16H24F2N2 — CID 79115999

IUPAC4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(C1CCC(N)CC1)C(C)c1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-3-20(14-7-5-13(19)6-8-14)11(2)15-9-4-12(17)10-16(15)18/h4,9-11,13-14H,3,5-8,19H2,1-2H3
InChIKeyMMHSKIFOZUEAOA-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.62
Rot. Bonds4

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

4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 79115999) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
PubChem CID79115999
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(C1CCC(N)CC1)C(C)c1ccc(F)cc1F
InChIInChI=1S/C16H24F2N2/c1-3-20(14-7-5-13(19)6-8-14)11(2)15-9-4-12(17)10-16(15)18/h4,9-11,13-14H,3,5-8,19H2,1-2H3
InChIKeyMMHSKIFOZUEAOA-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299279
4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115906
2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
4-[1-[ethyl(pyrrolidin-3-yl)amino]ethyl]-3-fluorophenol
CID 107720760
2-[1-[ethyl(piperidin-3-yl)amino]ethyl]-5-fluorophenol
CID 63644320
N-[1-(2,4-difluorophenyl)ethyl]-N-methylazepan-4-amine
CID 107172162
N-[1-(2,4-difluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698898
4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113200
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine (CID 79115999) is 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine is CCN(C1CCC(N)CC1)C(C)c1ccc(F)cc1F.
What is the InChIKey of 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is MMHSKIFOZUEAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-3-20(14-7-5-13(19)6-8-14)11(2)15-9-4-12(17)10-16(15)18/h4,9-11,13-14H,3,5-8,19H2,1-2H3.
What are the key properties of 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine?
4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 282.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79115999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).