3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile

C15H20N2O — CID 60713387

IUPAC3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
SMILESCOc1ccc(C(NCC(C)C#N)C2CC2)cc1
InChIInChI=1S/C15H20N2O/c1-11(9-16)10-17-15(12-3-4-12)13-5-7-14(18-2)8-6-13/h5-8,11-12,15,17H,3-4,10H2,1-2H3
InChIKeyYRNFBYXTJXDGAL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.90
Rot. Bonds6

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

3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile (PubChem CID 60713387) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
PubChem CID60713387
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile
SMILESCOc1ccc(C(NCC(C)C#N)C2CC2)cc1
InChIInChI=1S/C15H20N2O/c1-11(9-16)10-17-15(12-3-4-12)13-5-7-14(18-2)8-6-13/h5-8,11-12,15,17H,3-4,10H2,1-2H3
InChIKeyYRNFBYXTJXDGAL-UHFFFAOYSA-N
XLogP2.90
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
4-[3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]propoxy]benzonitrile
CID 112840952
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N'-[cyclopropyl-(4-methoxyphenyl)methyl]butane-1,4-diamine
CID 60894909
2-hydroxyethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 79348785
5-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 103714492
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile?
The IUPAC name of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile (CID 60713387) is 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile is COc1ccc(C(NCC(C)C#N)C2CC2)cc1.
What is the InChIKey of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile?
The InChIKey is YRNFBYXTJXDGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(9-16)10-17-15(12-3-4-12)13-5-7-14(18-2)8-6-13/h5-8,11-12,15,17H,3-4,10H2,1-2H3.
What are the key properties of 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile?
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile has a molecular weight of 244.34 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-methylpropanenitrile is sourced from PubChem (CID 60713387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).