3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile

C15H20N2O — CID 136571570

IUPAC3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile
SMILESCOc1ccc(C2CCC2NCC(C)C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(9-16)10-17-15-8-7-14(15)12-3-5-13(18-2)6-4-12/h3-6,11,14-15,17H,7-8,10H2,1-2H3
InChIKeyPSFSVSSSLRJJIE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.69
Rot. Bonds5

About 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile

3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile (PubChem CID 136571570) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile
PubChem CID136571570
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile
SMILESCOc1ccc(C2CCC2NCC(C)C#N)cc1
InChIInChI=1S/C15H20N2O/c1-11(9-16)10-17-15-8-7-14(15)12-3-5-13(18-2)6-4-12/h3-6,11,14-15,17H,7-8,10H2,1-2H3
InChIKeyPSFSVSSSLRJJIE-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
CID 60713387
2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 172635786
tert-butyl 2-hydroxy-3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanoate
CID 136571569
3-[4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-2-methylpropanenitrile
CID 82148222
3-(4-methoxyphenoxy)-2-methylpropanenitrile
CID 43367443
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
N-[[2-(4-methoxyphenyl)cyclobutyl]methyl]ethanamine
CID 81018235
N-[2-(4-bromophenyl)cyclohexyl]-4-methoxyaniline
CID 135074114
2-[2-(4-methoxyphenyl)cyclohexyl]propan-1-amine
CID 82244560
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449
2-(cyclopropylamino)-2-(4-methoxyphenyl)acetonitrile
CID 43151709

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile (CID 136571570) is 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile is COc1ccc(C2CCC2NCC(C)C#N)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile?
The InChIKey is PSFSVSSSLRJJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(9-16)10-17-15-8-7-14(15)12-3-5-13(18-2)6-4-12/h3-6,11,14-15,17H,7-8,10H2,1-2H3.
What are the key properties of 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile?
3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)cyclobutyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 136571570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).