2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile

C16H18N2O2 — CID 96667603

IUPAC2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
SMILESCc1oc(N)c(C#N)c1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H18N2O2/c1-10(2)9-19-13-6-4-12(5-7-13)15-11(3)20-16(18)14(15)8-17/h4-7,10H,9,18H2,1-3H3
InChIKeyNRLBEWQEBFLDSD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.74
Rot. Bonds4

About 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile

2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile (PubChem CID 96667603) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
PubChem CID96667603
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile
SMILESCc1oc(N)c(C#N)c1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C16H18N2O2/c1-10(2)9-19-13-6-4-12(5-7-13)15-11(3)20-16(18)14(15)8-17/h4-7,10H,9,18H2,1-3H3
InChIKeyNRLBEWQEBFLDSD-UHFFFAOYSA-N
XLogP3.74
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methyl-4-(4-methylsulfanylphenyl)furan-3-carbonitrile
CID 82478583
2-amino-4-(3,4-difluorophenyl)-5-methylfuran-3-carbonitrile
CID 82475747
2-[[6-amino-3,5-dicyano-4-[4-(2-methylpropoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 143294251
2-amino-5-[4-(2-methylpropoxy)phenyl]-1H-pyrrole-3-carbonitrile
CID 82299236
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500
6-(2-methylpropoxy)naphthalene-2-carbonitrile
CID 121256525
[5-methyl-4-[4-(2-methylpropoxy)phenyl]-1,3-oxazol-2-yl]methanamine
CID 95466695
4-[4-(2-methylpropoxy)phenyl]-5-(trifluoromethyl)-1,2-oxazol-3-amine
CID 66202068
2-methyl-4-(2-methylpropoxy)benzonitrile
CID 80502714
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
CID 66202645
6-[4-(2-methylpropoxy)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 82517764
5-methyl-3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-4-amine
CID 82479094

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile?
The IUPAC name of 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile (CID 96667603) is 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile.
What is the SMILES notation for 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile?
The canonical SMILES for 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile is Cc1oc(N)c(C#N)c1-c1ccc(OCC(C)C)cc1.
What is the InChIKey of 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile?
The InChIKey is NRLBEWQEBFLDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10(2)9-19-13-6-4-12(5-7-13)15-11(3)20-16(18)14(15)8-17/h4-7,10H,9,18H2,1-3H3.
What are the key properties of 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile?
2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile has a molecular weight of 270.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-[4-(2-methylpropoxy)phenyl]furan-3-carbonitrile is sourced from PubChem (CID 96667603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).