1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile

C14H18N2O — CID 115245198

IUPAC1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
SMILESCOc1ccccc1N(C)CC1(C#N)CCC1
InChIInChI=1S/C14H18N2O/c1-16(11-14(10-15)8-5-9-14)12-6-3-4-7-13(12)17-2/h3-4,6-7H,5,8-9,11H2,1-2H3
InChIKeyDWRIIOHWSFDXAT-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.83
Rot. Bonds4

About 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile

1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile (PubChem CID 115245198) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
PubChem CID115245198
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
SMILESCOc1ccccc1N(C)CC1(C#N)CCC1
InChIInChI=1S/C14H18N2O/c1-16(11-14(10-15)8-5-9-14)12-6-3-4-7-13(12)17-2/h3-4,6-7H,5,8-9,11H2,1-2H3
InChIKeyDWRIIOHWSFDXAT-UHFFFAOYSA-N
XLogP2.83
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245139
1-[(2-chloro-4-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245166
1-[(2-bromo-N-methylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242181
2-[2-(2-methoxy-N-methylanilino)ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 79578119
N-[[1-(4-aminophenyl)cyclopropyl]methyl]-2-methoxy-N-methylaniline
CID 115913163
N-[[3-(aminomethyl)oxan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 63742093
[3-[(2-methoxy-N-methylanilino)methyl]oxetan-3-yl]methanol
CID 115248930
3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
CID 64536348
1-cyano-N-(2-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 61461787
3-[(4-methoxy-N,2,3-trimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247896
1-[(2,4-dimethoxy-N,6-dimethylanilino)methyl]cyclopropane-1-carbonitrile
CID 115242157
2-methoxy-N-methyl-N-propylaniline
CID 23198488

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile (CID 115245198) is 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile is COc1ccccc1N(C)CC1(C#N)CCC1.
What is the InChIKey of 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is DWRIIOHWSFDXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(11-14(10-15)8-5-9-14)12-6-3-4-7-13(12)17-2/h3-4,6-7H,5,8-9,11H2,1-2H3.
What are the key properties of 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile?
1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-N-methylanilino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).