N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine

C13H20N2O — CID 114522659

IUPACN'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H20N2O/c1-14-8-9-15(2)11-4-3-5-13(10-11)16-12-6-7-12/h3-5,10,12,14H,6-9H2,1-2H3
InChIKeyNDSBZOXWODVFLE-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.88
Rot. Bonds6

About N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine

N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 114522659) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID114522659
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cccc(OC2CC2)c1
InChIInChI=1S/C13H20N2O/c1-14-8-9-15(2)11-4-3-5-13(10-11)16-12-6-7-12/h3-5,10,12,14H,6-9H2,1-2H3
InChIKeyNDSBZOXWODVFLE-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine (CID 114522659) is N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cccc(OC2CC2)c1.
What is the InChIKey of N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is NDSBZOXWODVFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-8-9-15(2)11-4-3-5-13(10-11)16-12-6-7-12/h3-5,10,12,14H,6-9H2,1-2H3.
What are the key properties of N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine?
N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopropyloxyphenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 114522659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).