4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile

C14H18N2O — CID 81306794

IUPAC4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile
SMILESCOc1ccc(C#N)c(NC2(C)CCCC2)c1
InChIInChI=1S/C14H18N2O/c1-14(7-3-4-8-14)16-13-9-12(17-2)6-5-11(13)10-15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyZFQDABSXMBYNTJ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.31
Rot. Bonds3

About 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile

4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile (PubChem CID 81306794) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile
PubChem CID81306794
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile
SMILESCOc1ccc(C#N)c(NC2(C)CCCC2)c1
InChIInChI=1S/C14H18N2O/c1-14(7-3-4-8-14)16-13-9-12(17-2)6-5-11(13)10-15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyZFQDABSXMBYNTJ-UHFFFAOYSA-N
XLogP3.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclopentyl]methylamino]-4-methoxybenzonitrile
CID 83111910
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-(2,2-dimethylhydrazinyl)-4-methoxybenzonitrile
CID 83016723
4-methoxy-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzonitrile
CID 81296364
2-[(1,1-dioxothian-4-yl)amino]-4-methoxybenzonitrile
CID 81298951
1-cyano-N-(2-cyano-5-methoxyphenyl)methanethioamide
CID 86278747
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
2-[2-(azepan-1-yl)ethylamino]-4-methoxybenzonitrile
CID 81303360
2-[(1-methylcyclohexyl)amino]-5-(trifluoromethyl)benzonitrile
CID 63512159
2-(3,5-difluoroanilino)-4-methoxybenzonitrile
CID 81300164
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile?
The IUPAC name of 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile (CID 81306794) is 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile.
What is the SMILES notation for 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile?
The canonical SMILES for 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile is COc1ccc(C#N)c(NC2(C)CCCC2)c1.
What is the InChIKey of 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile?
The InChIKey is ZFQDABSXMBYNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(7-3-4-8-14)16-13-9-12(17-2)6-5-11(13)10-15/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile?
4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-methylcyclopentyl)amino]benzonitrile is sourced from PubChem (CID 81306794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).