4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine

C17H28N2O2 — CID 79114793

IUPAC4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCOc1ccccc1OC)C1CCC(N)CC1
InChIInChI=1S/C17H28N2O2/c1-3-19(15-10-8-14(18)9-11-15)12-13-21-17-7-5-4-6-16(17)20-2/h4-7,14-15H,3,8-13,18H2,1-2H3
InChIKeyUFXDDFFEKQWUAK-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.67
Rot. Bonds7

About 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79114793) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79114793
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCOc1ccccc1OC)C1CCC(N)CC1
InChIInChI=1S/C17H28N2O2/c1-3-19(15-10-8-14(18)9-11-15)12-13-21-17-7-5-4-6-16(17)20-2/h4-7,14-15H,3,8-13,18H2,1-2H3
InChIKeyUFXDDFFEKQWUAK-UHFFFAOYSA-N
XLogP2.67
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
N-[2-(2-methoxyphenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933164
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-6-methoxyphenol
CID 79115913
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115451
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
N-[2-(2-methoxyphenoxy)ethyl]-N-methylthian-4-amine
CID 91831507
4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 79115353
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
CID 66184304
3-[2-[cyclopropyl(ethyl)amino]ethoxy]benzenecarbothioamide
CID 43290573
2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine (CID 79114793) is 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine is CCN(CCOc1ccccc1OC)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is UFXDDFFEKQWUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-19(15-10-8-14(18)9-11-15)12-13-21-17-7-5-4-6-16(17)20-2/h4-7,14-15H,3,8-13,18H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 292.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79114793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).