4-amino-3-(3-methylcyclohexyl)oxybenzonitrile

C14H18N2O — CID 113444310

IUPAC4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
SMILESCC1CCCC(Oc2cc(C#N)ccc2N)C1
InChIInChI=1S/C14H18N2O/c1-10-3-2-4-12(7-10)17-14-8-11(9-15)5-6-13(14)16/h5-6,8,10,12H,2-4,7,16H2,1H3
InChIKeyZNNXQWXDWYMDOB-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.10
Rot. Bonds2

About 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile

4-amino-3-(3-methylcyclohexyl)oxybenzonitrile (PubChem CID 113444310) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
PubChem CID113444310
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-amino-3-(3-methylcyclohexyl)oxybenzonitrile
SMILESCC1CCCC(Oc2cc(C#N)ccc2N)C1
InChIInChI=1S/C14H18N2O/c1-10-3-2-4-12(7-10)17-14-8-11(9-15)5-6-13(14)16/h5-6,8,10,12H,2-4,7,16H2,1H3
InChIKeyZNNXQWXDWYMDOB-UHFFFAOYSA-N
XLogP3.10
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-cyclobutyloxybenzonitrile
CID 112623559
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981
4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
CID 82903335
4-cyclopentyloxy-3-methylbenzonitrile
CID 60929177
4-(3,5-dimethylcyclohexyl)oxy-3-methoxybenzonitrile
CID 64734756
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
3-ethoxy-4-(4-methylcyclohexyl)oxybenzonitrile
CID 64749862
1-[5-amino-2-(3-methylcyclohexyl)oxyphenyl]ethanone
CID 116541096
3-methoxy-4-[(4-methylcycloheptyl)amino]benzonitrile
CID 104848127
3-chloro-4-cyclopentyloxybenzonitrile
CID 58439107
5-(3-methylcyclohexyl)oxypyridine-2-carbonitrile
CID 115487907
2-chloro-4-[(1R,3R)-3-methylcyclohexyl]oxybenzonitrile
CID 58587579

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile?
The IUPAC name of 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile (CID 113444310) is 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile.
What is the SMILES notation for 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile?
The canonical SMILES for 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile is CC1CCCC(Oc2cc(C#N)ccc2N)C1.
What is the InChIKey of 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile?
The InChIKey is ZNNXQWXDWYMDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-3-2-4-12(7-10)17-14-8-11(9-15)5-6-13(14)16/h5-6,8,10,12H,2-4,7,16H2,1H3.
What are the key properties of 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile?
4-amino-3-(3-methylcyclohexyl)oxybenzonitrile has a molecular weight of 230.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methylcyclohexyl)oxybenzonitrile is sourced from PubChem (CID 113444310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).