4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile

C20H25N3O — CID 18933650

IUPAC4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile
SMILESCN(C)Cc1cc(C#N)ccc1OCCN(C)Cc1ccccc1
InChIInChI=1S/C20H25N3O/c1-22(2)16-19-13-18(14-21)9-10-20(19)24-12-11-23(3)15-17-7-5-4-6-8-17/h4-10,13H,11-12,15-16H2,1-3H3
InChIKeyOIOYDMMDHRKHPB-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.13
Rot. Bonds8

About 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile

4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile (PubChem CID 18933650) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile
PubChem CID18933650
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile
SMILESCN(C)Cc1cc(C#N)ccc1OCCN(C)Cc1ccccc1
InChIInChI=1S/C20H25N3O/c1-22(2)16-19-13-18(14-21)9-10-20(19)24-12-11-23(3)15-17-7-5-4-6-8-17/h4-10,13H,11-12,15-16H2,1-3H3
InChIKeyOIOYDMMDHRKHPB-UHFFFAOYSA-N
XLogP3.13
TPSA39.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
3-[[2-(2-aminophenoxy)ethyl-methylamino]methyl]benzonitrile
CID 62971110
3-ethyl-4-phenylmethoxybenzonitrile
CID 56984010
3-[[2-(2,5-dichlorophenoxy)ethyl-methylamino]methyl]benzonitrile
CID 112820101
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
CID 18933589
3-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzonitrile
CID 43563424
1-[2-[2-[benzyl(methyl)amino]ethoxy]phenyl]cyclopropane-1-carbonitrile
CID 130453663
3-[[methyl(2-phenylethyl)amino]methyl]benzonitrile
CID 5253461
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
3-chloro-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 60667254
N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
CID 130453676

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile?
The IUPAC name of 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile (CID 18933650) is 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile.
What is the SMILES notation for 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile?
The canonical SMILES for 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile is CN(C)Cc1cc(C#N)ccc1OCCN(C)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile?
The InChIKey is OIOYDMMDHRKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(2)16-19-13-18(14-21)9-10-20(19)24-12-11-23(3)15-17-7-5-4-6-8-17/h4-10,13H,11-12,15-16H2,1-3H3.
What are the key properties of 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile?
4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile has a molecular weight of 323.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(methyl)amino]ethoxy]-3-[(dimethylamino)methyl]benzonitrile is sourced from PubChem (CID 18933650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).