1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile

C15H20N2O — CID 116958660

IUPAC1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCCOc1ccc(C(NC)C2(C#N)CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-3-18-13-7-5-12(6-8-13)14(17-2)15(11-16)9-4-10-15/h5-8,14,17H,3-4,9-10H2,1-2H3
InChIKeyIAEOMIAGSRSMJA-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.04
Rot. Bonds5

About 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile

1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile (PubChem CID 116958660) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
PubChem CID116958660
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCCOc1ccc(C(NC)C2(C#N)CCC2)cc1
InChIInChI=1S/C15H20N2O/c1-3-18-13-7-5-12(6-8-13)14(17-2)15(11-16)9-4-10-15/h5-8,14,17H,3-4,9-10H2,1-2H3
InChIKeyIAEOMIAGSRSMJA-UHFFFAOYSA-N
XLogP3.04
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958669
1-[(4-ethoxyphenyl)-hydroxymethyl]cyclopentane-1-carbonitrile
CID 79130086
1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
1-[(4-ethoxy-3-methylphenyl)-(methylamino)methyl]cyclopropane-1-carbonitrile
CID 116958024
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 116958677
1-[methylamino-(3-methylphenyl)methyl]cyclobutane-1-carbonitrile
CID 116958707
3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile
CID 116959266
1-[2,3-dihydro-1,4-benzodioxin-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958640
[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959480
N-[(4-ethoxyphenyl)-(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 105140867
1-[3H-benzimidazol-5-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958693
1-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclobutane-1-carbonitrile
CID 116943692

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile (CID 116958660) is 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile is CCOc1ccc(C(NC)C2(C#N)CCC2)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is IAEOMIAGSRSMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-18-13-7-5-12(6-8-13)14(17-2)15(11-16)9-4-10-15/h5-8,14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile?
1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)-(methylamino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).