3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline

C17H29N3O — CID 62659586

IUPAC3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN(C)CCOc1cccc(NCC2CCCCN2C)c1
InChIInChI=1S/C17H29N3O/c1-19(2)11-12-21-17-9-6-7-15(13-17)18-14-16-8-4-5-10-20(16)3/h6-7,9,13,16,18H,4-5,8,10-12,14H2,1-3H3
InChIKeyDIYRZDBDGBSJHV-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.52
Rot. Bonds7

About 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline

3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline (PubChem CID 62659586) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
PubChem CID62659586
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline
SMILESCN(C)CCOc1cccc(NCC2CCCCN2C)c1
InChIInChI=1S/C17H29N3O/c1-19(2)11-12-21-17-9-6-7-15(13-17)18-14-16-8-4-5-10-20(16)3/h6-7,9,13,16,18H,4-5,8,10-12,14H2,1-3H3
InChIKeyDIYRZDBDGBSJHV-UHFFFAOYSA-N
XLogP2.52
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-3-propoxyaniline
CID 83961015
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252
3-N,3-N-dimethyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,3-diamine
CID 112721974
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
3-[2-(dimethylamino)ethoxy]-N-(2-methylpropyl)aniline
CID 43720849
1-[2-(3-chlorophenoxy)ethyl]-1-methyl-3-[(1-methylpiperidin-2-yl)methyl]urea
CID 119071979
N-[(1-methylpiperidin-2-yl)methyl]-3-methylsulfonylaniline
CID 62658865
N-[(2-chlorophenyl)methyl]-3-[2-(dimethylamino)ethoxy]aniline
CID 43720825
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
CID 54803051
N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidin-3-amine
CID 79731504

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline (CID 62659586) is 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline is CN(C)CCOc1cccc(NCC2CCCCN2C)c1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline?
The InChIKey is DIYRZDBDGBSJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19(2)11-12-21-17-9-6-7-15(13-17)18-14-16-8-4-5-10-20(16)3/h6-7,9,13,16,18H,4-5,8,10-12,14H2,1-3H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline?
3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline has a molecular weight of 291.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-N-[(1-methylpiperidin-2-yl)methyl]aniline is sourced from PubChem (CID 62659586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).