2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile

C14H20N2O — CID 60880056

IUPAC2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
SMILESCc1cc(CNC(C)C)cc(C)c1OCC#N
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-13-7-11(3)14(12(4)8-13)17-6-5-15/h7-8,10,16H,6,9H2,1-4H3
InChIKeyICFYYAHPNATRDD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.70
Rot. Bonds5

About 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile

2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile (PubChem CID 60880056) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
PubChem CID60880056
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
SMILESCc1cc(CNC(C)C)cc(C)c1OCC#N
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-13-7-11(3)14(12(4)8-13)17-6-5-15/h7-8,10,16H,6,9H2,1-4H3
InChIKeyICFYYAHPNATRDD-UHFFFAOYSA-N
XLogP2.70
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60880054
N-[(4-but-3-ynoxy-3,5-dimethylphenyl)methyl]propan-2-amine
CID 55028257
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
CID 43560086
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]acetonitrile
CID 54930389
N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276802
4-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]butanenitrile
CID 63061854
N-[[3,5-dimethyl-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 66141916
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954
5-[2,6-dimethyl-4-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 63061507
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64749252
1-[3,5-dimethyl-4-(2-methylbutoxy)phenyl]-N-methylmethanamine
CID 55036950

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
The IUPAC name of 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile (CID 60880056) is 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile.
What is the SMILES notation for 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
The canonical SMILES for 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile is Cc1cc(CNC(C)C)cc(C)c1OCC#N.
What is the InChIKey of 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
The InChIKey is ICFYYAHPNATRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-9-13-7-11(3)14(12(4)8-13)17-6-5-15/h7-8,10,16H,6,9H2,1-4H3.
What are the key properties of 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile?
2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile is sourced from PubChem (CID 60880056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).