N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine

C17H30N2O — CID 103787824

IUPACN-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC(C)c1ccc(OCC)cc1
InChIInChI=1S/C17H30N2O/c1-5-13-19(6-2)14-12-18-15(4)16-8-10-17(11-9-16)20-7-3/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyZDWSXTDDZZTFCE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.47
Rot. Bonds10

About N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine

N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 103787824) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID103787824
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNC(C)c1ccc(OCC)cc1
InChIInChI=1S/C17H30N2O/c1-5-13-19(6-2)14-12-18-15(4)16-8-10-17(11-9-16)20-7-3/h8-11,15,18H,5-7,12-14H2,1-4H3
InChIKeyZDWSXTDDZZTFCE-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-(1-phenylethyl)-N',N'-dipropylethane-1,2-diamine
CID 54806910
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpentan-1-amine
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CID 60993501
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
3-[1-[2-[ethyl(propyl)amino]ethylamino]ethyl]benzonitrile
CID 103921686
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597
N-[1-(4-ethoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 43734730
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine (CID 103787824) is N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNC(C)c1ccc(OCC)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is ZDWSXTDDZZTFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-13-19(6-2)14-12-18-15(4)16-8-10-17(11-9-16)20-7-3/h8-11,15,18H,5-7,12-14H2,1-4H3.
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine?
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 103787824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).