3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline

C15H21N3O — CID 62328048

IUPAC3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCN(C)CCOc1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C15H21N3O/c1-18(2)9-10-19-15-7-3-5-13(11-15)17-12-14-6-4-8-16-14/h3-8,11,16-17H,9-10,12H2,1-2H3
InChIKeyLYFWRPSDKCAUOY-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.57
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline

3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline (PubChem CID 62328048) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
PubChem CID62328048
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline
SMILESCN(C)CCOc1cccc(NCc2ccc[nH]2)c1
InChIInChI=1S/C15H21N3O/c1-18(2)9-10-19-15-7-3-5-13(11-15)17-12-14-6-4-8-16-14/h3-8,11,16-17H,9-10,12H2,1-2H3
InChIKeyLYFWRPSDKCAUOY-UHFFFAOYSA-N
XLogP2.57
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethoxy]-N-[(2-methylphenyl)methyl]aniline
CID 43720831
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329226
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
N-[(4-bromothiophen-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720906
N-[(3-bromofuran-2-yl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 103818527
3-[2-(dimethylamino)ethoxy]-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62748054
3-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60940843
3-[2-(dimethylamino)ethoxy]-N-heptylaniline
CID 43720868
N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
3-[2-(dimethylamino)ethoxy]-N-pentan-3-ylaniline
CID 43720882

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline (CID 62328048) is 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline is CN(C)CCOc1cccc(NCc2ccc[nH]2)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline?
The InChIKey is LYFWRPSDKCAUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(2)9-10-19-15-7-3-5-13(11-15)17-12-14-6-4-8-16-14/h3-8,11,16-17H,9-10,12H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline?
3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline has a molecular weight of 259.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-(1H-pyrrol-2-ylmethyl)aniline is sourced from PubChem (CID 62328048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).