N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

C17H28N2O — CID 61434447

IUPACN'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(N)CN(CC)CC2CCCO2)cc1
InChIInChI=1S/C17H28N2O/c1-3-14-7-9-15(10-8-14)17(18)13-19(4-2)12-16-6-5-11-20-16/h7-10,16-17H,3-6,11-13,18H2,1-2H3
InChIKeyJLOOHOITAUMDFF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds7

About N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 61434447) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
PubChem CID61434447
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
SMILESCCc1ccc(C(N)CN(CC)CC2CCCO2)cc1
InChIInChI=1S/C17H28N2O/c1-3-14-7-9-15(10-8-14)17(18)13-19(4-2)12-16-6-5-11-20-16/h7-10,16-17H,3-6,11-13,18H2,1-2H3
InChIKeyJLOOHOITAUMDFF-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-2-N-methyl-2-N-(oxolan-2-ylmethyl)propane-1,2-diamine
CID 61431442
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
N'-ethyl-N'-(oxolan-2-ylmethyl)-2-phenylpropane-1,3-diamine
CID 61433987
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
CID 61440981
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62182826
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
1-cyclopentyl-2-[ethyl(oxolan-2-ylmethyl)amino]ethanol
CID 104752617

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine (CID 61434447) is N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is CCc1ccc(C(N)CN(CC)CC2CCCO2)cc1.
What is the InChIKey of N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is JLOOHOITAUMDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-14-7-9-15(10-8-14)17(18)13-19(4-2)12-16-6-5-11-20-16/h7-10,16-17H,3-6,11-13,18H2,1-2H3.
What are the key properties of N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine?
N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(4-ethylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 61434447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).