4-methoxy-2-(5-methoxypentylamino)benzonitrile

C14H20N2O2 — CID 114130567

IUPAC4-methoxy-2-(5-methoxypentylamino)benzonitrile
SMILESCOCCCCCNc1cc(OC)ccc1C#N
InChIInChI=1S/C14H20N2O2/c1-17-9-5-3-4-8-16-14-10-13(18-2)7-6-12(14)11-15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyFHQPTDORJYGEOW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.80
Rot. Bonds8

About 4-methoxy-2-(5-methoxypentylamino)benzonitrile

4-methoxy-2-(5-methoxypentylamino)benzonitrile (PubChem CID 114130567) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methoxy-2-(5-methoxypentylamino)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(5-methoxypentylamino)benzonitrile
PubChem CID114130567
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-methoxy-2-(5-methoxypentylamino)benzonitrile
SMILESCOCCCCCNc1cc(OC)ccc1C#N
InChIInChI=1S/C14H20N2O2/c1-17-9-5-3-4-8-16-14-10-13(18-2)7-6-12(14)11-15/h6-7,10,16H,3-5,8-9H2,1-2H3
InChIKeyFHQPTDORJYGEOW-UHFFFAOYSA-N
XLogP2.80
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028
2-[2-(2-hydroxypropylamino)ethylamino]-4-methoxybenzonitrile
CID 104594310
2-[2-(azepan-1-yl)ethylamino]-4-methoxybenzonitrile
CID 81303360
2-bromo-4-(4-methoxybutylamino)benzonitrile
CID 107276201
4-(4-methoxybutylamino)-2-methylbenzonitrile
CID 81273563
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
4-methoxy-2-[[2-methyl-3-(methylamino)propyl]amino]benzonitrile
CID 113282602
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-methoxypentylamino)benzonitrile?
The IUPAC name of 4-methoxy-2-(5-methoxypentylamino)benzonitrile (CID 114130567) is 4-methoxy-2-(5-methoxypentylamino)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(5-methoxypentylamino)benzonitrile?
The canonical SMILES for 4-methoxy-2-(5-methoxypentylamino)benzonitrile is COCCCCCNc1cc(OC)ccc1C#N.
What is the InChIKey of 4-methoxy-2-(5-methoxypentylamino)benzonitrile?
The InChIKey is FHQPTDORJYGEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-9-5-3-4-8-16-14-10-13(18-2)7-6-12(14)11-15/h6-7,10,16H,3-5,8-9H2,1-2H3.
What are the key properties of 4-methoxy-2-(5-methoxypentylamino)benzonitrile?
4-methoxy-2-(5-methoxypentylamino)benzonitrile has a molecular weight of 248.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(5-methoxypentylamino)benzonitrile is sourced from PubChem (CID 114130567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).