2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane

C23H33N3 — CID 143170148

IUPAC2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
SMILESCC.CCc1cccc(CN(CCN(C)C)Cc2ccccc2C#N)c1
InChIInChI=1S/C21H27N3.C2H6/c1-4-18-8-7-9-19(14-18)16-24(13-12-23(2)3)17-21-11-6-5-10-20(21)15-22;1-2/h5-11,14H,4,12-13,16-17H2,1-3H3;1-2H3
InChIKeyLKZHPUYLQRPMFI-UHFFFAOYSA-N
MW351.54 g/mol
LogP4.71
Rot. Bonds8

About 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane

2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane (PubChem CID 143170148) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane.

Molecular Properties

Compound Name2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
PubChem CID143170148
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane
SMILESCC.CCc1cccc(CN(CCN(C)C)Cc2ccccc2C#N)c1
InChIInChI=1S/C21H27N3.C2H6/c1-4-18-8-7-9-19(14-18)16-24(13-12-23(2)3)17-21-11-6-5-10-20(21)15-22;1-2/h5-11,14H,4,12-13,16-17H2,1-3H3;1-2H3
InChIKeyLKZHPUYLQRPMFI-UHFFFAOYSA-N
XLogP4.71
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-aminophenyl)methyl-propylamino]methyl]benzonitrile
CID 43459753
N'-benzyl-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine;butane;ethane
CID 143170387
N'-[(2,6-dichlorophenyl)methyl]-N'-[(3-ethylphenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 70827284
N'-[(2-ethylphenyl)methyl]-N,N-dimethyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 70827104
2-[[[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile
CID 70827313
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 51110440
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 70827105
3-[[benzyl-[2-(dimethylamino)ethyl]amino]methyl]benzonitrile
CID 20628499
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
3-[[2-(dimethylamino)ethyl-ethylamino]methyl]benzonitrile
CID 170695975
2-[(3-cyano-2-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426085

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane?
The IUPAC name of 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane (CID 143170148) is 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane.
What is the SMILES notation for 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane?
The canonical SMILES for 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane is CC.CCc1cccc(CN(CCN(C)C)Cc2ccccc2C#N)c1.
What is the InChIKey of 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane?
The InChIKey is LKZHPUYLQRPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3.C2H6/c1-4-18-8-7-9-19(14-18)16-24(13-12-23(2)3)17-21-11-6-5-10-20(21)15-22;1-2/h5-11,14H,4,12-13,16-17H2,1-3H3;1-2H3.
What are the key properties of 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane?
2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane has a molecular weight of 351.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)ethyl-[(3-ethylphenyl)methyl]amino]methyl]benzonitrile;ethane is sourced from PubChem (CID 143170148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).