N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline

C17H26N2O — CID 43720885

IUPACN-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H26N2O/c1-19(2)10-11-20-16-5-3-4-15(12-16)18-17(13-6-7-13)14-8-9-14/h3-5,12-14,17-18H,6-11H2,1-2H3
InChIKeyBEKVMODVQXWTOO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.23
Rot. Bonds8

About N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline

N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline (PubChem CID 43720885) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
PubChem CID43720885
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
SMILESCN(C)CCOc1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C17H26N2O/c1-19(2)10-11-20-16-5-3-4-15(12-16)18-17(13-6-7-13)14-8-9-14/h3-5,12-14,17-18H,6-11H2,1-2H3
InChIKeyBEKVMODVQXWTOO-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882
3-[2-(dimethylamino)ethoxy]-N-(3-methylbutan-2-yl)aniline
CID 43720877
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
2-[3-(dicyclopropylmethylamino)phenoxy]acetamide
CID 43720251
1-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclobutane-1,3-diamine
CID 80559817
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
CID 79731504
methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749
N-[1-(5-bromofuran-2-yl)ethyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 104652524
3-[2-(dimethylamino)ethoxy]-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43786044
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659586
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline (CID 43720885) is N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline is CN(C)CCOc1cccc(NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline?
The InChIKey is BEKVMODVQXWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(2)10-11-20-16-5-3-4-15(12-16)18-17(13-6-7-13)14-8-9-14/h3-5,12-14,17-18H,6-11H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline?
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline has a molecular weight of 274.41 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline is sourced from PubChem (CID 43720885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).