3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline

C16H26N2O — CID 63906270

IUPAC3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
SMILESCCCNC(COc1cccc(N(C)C)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-10-17-16(13-8-9-13)12-19-15-7-5-6-14(11-15)18(2)3/h5-7,11,13,16-17H,4,8-10,12H2,1-3H3
InChIKeyVNPRXEPASLACHH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.91
Rot. Bonds8

About 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline

3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline (PubChem CID 63906270) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
PubChem CID63906270
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline
SMILESCCCNC(COc1cccc(N(C)C)c1)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-10-17-16(13-8-9-13)12-19-15-7-5-6-14(11-15)18(2)3/h5-7,11,13,16-17H,4,8-10,12H2,1-3H3
InChIKeyVNPRXEPASLACHH-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclopropyl-2-(3-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63914018
N-[2-(3-chlorophenoxy)-1-cyclopentylethyl]propan-1-amine
CID 105080955
N-[1-cyclohexyl-2-(3-fluorophenoxy)ethyl]propan-1-amine
CID 104748574
4-[3-(dimethylamino)phenoxy]-2-(propylamino)butan-1-ol
CID 64809761
N-[1-cyclopropyl-2-(2,6-dimethoxyphenoxy)ethyl]propan-1-amine
CID 63912914
N-[1-cyclopropyl-2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103289329
N-[1-cyclopentyl-2-(4-ethylphenoxy)ethyl]propan-1-amine
CID 104748438
1-cyclopentyl-N-ethyl-2-(3-methoxyphenoxy)ethanamine
CID 104748428
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
3-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176253
N-[1-cyclopentyl-2-(2-ethoxyphenoxy)ethyl]propan-1-amine
CID 104748399
1-cyclopropyl-N-ethyl-2-(4-propoxyphenoxy)ethanamine
CID 63908353

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline (CID 63906270) is 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline is CCCNC(COc1cccc(N(C)C)c1)C1CC1.
What is the InChIKey of 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline?
The InChIKey is VNPRXEPASLACHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-10-17-16(13-8-9-13)12-19-15-7-5-6-14(11-15)18(2)3/h5-7,11,13,16-17H,4,8-10,12H2,1-3H3.
What are the key properties of 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline?
3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline has a molecular weight of 262.40 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-2-(propylamino)ethoxy]-N,N-dimethylaniline is sourced from PubChem (CID 63906270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).