2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile

C15H22N2O2 — CID 84756973

IUPAC2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile
SMILESCOCCN(CCOC)C(C#N)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-13-5-4-6-14(11-13)15(12-16)17(7-9-18-2)8-10-19-3/h4-6,11,15H,7-10H2,1-3H3
InChIKeyXYDWSANDENCQJK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.15
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile

2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile (PubChem CID 84756973) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile
PubChem CID84756973
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile
SMILESCOCCN(CCOC)C(C#N)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-13-5-4-6-14(11-13)15(12-16)17(7-9-18-2)8-10-19-3/h4-6,11,15H,7-10H2,1-3H3
InChIKeyXYDWSANDENCQJK-UHFFFAOYSA-N
XLogP2.15
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yl)-3-methylbenzene
CID 88998801
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 54999518
2,2-bis(3-methylphenyl)acetonitrile
CID 71128021
2-(dipropylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 84756911
(3S)-3-(3-methylphenyl)butanenitrile
CID 102340136
1-[(3S)-1-methoxy-4-methylpentan-3-yl]-3-methylbenzene
CID 155032957
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
(2S)-2-hydroxy-2-(3-methylphenyl)acetonitrile
CID 12717592
2-bromo-2-(3-methylphenyl)acetonitrile
CID 58786600
2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
CID 84756866
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
3-(3-methylphenyl)pentanedinitrile
CID 20546281

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile (CID 84756973) is 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile is COCCN(CCOC)C(C#N)c1cccc(C)c1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile?
The InChIKey is XYDWSANDENCQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-13-5-4-6-14(11-13)15(12-16)17(7-9-18-2)8-10-19-3/h4-6,11,15H,7-10H2,1-3H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile?
2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile has a molecular weight of 262.35 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-2-(3-methylphenyl)acetonitrile is sourced from PubChem (CID 84756973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).