4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine

C16H25FN2O — CID 79115454

IUPAC4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1cc(F)ccc1OC)C1CCC(N)CC1
InChIInChI=1S/C16H25FN2O/c1-3-19(15-7-5-14(18)6-8-15)11-12-10-13(17)4-9-16(12)20-2/h4,9-10,14-15H,3,5-8,11,18H2,1-2H3
InChIKeyDCKFGOYPGDGQLI-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.93
Rot. Bonds5

About 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine (PubChem CID 79115454) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
PubChem CID79115454
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
SMILESCCN(Cc1cc(F)ccc1OC)C1CCC(N)CC1
InChIInChI=1S/C16H25FN2O/c1-3-19(15-7-5-14(18)6-8-15)11-12-10-13(17)4-9-16(12)20-2/h4,9-10,14-15H,3,5-8,11,18H2,1-2H3
InChIKeyDCKFGOYPGDGQLI-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-chloro-5-fluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 102617001
3-[[cyclopropyl(ethyl)amino]methyl]-4-methoxyaniline
CID 43263758
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
2-[cyclopropyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 60510272
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-chloro-6-methoxyphenol
CID 104666546
2-[cyclobutyl-[(5-fluoro-2-methoxyphenyl)methyl]amino]ethanol
CID 102676925
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
N-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 60807135
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115581

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine (CID 79115454) is 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine is CCN(Cc1cc(F)ccc1OC)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is DCKFGOYPGDGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19(15-7-5-14(18)6-8-15)11-12-10-13(17)4-9-16(12)20-2/h4,9-10,14-15H,3,5-8,11,18H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 280.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79115454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).