2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile

C14H14N2O2 — CID 43721153

IUPAC2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
SMILESCc1ccc(CNc2cccc(OCC#N)c2)o1
InChIInChI=1S/C14H14N2O2/c1-11-5-6-14(18-11)10-16-12-3-2-4-13(9-12)17-8-7-15/h2-6,9,16H,8,10H2,1H3
InChIKeyNELVXJQBMJHNHP-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.10
Rot. Bonds5

About 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile

2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile (PubChem CID 43721153) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile.

Molecular Properties

Compound Name2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
PubChem CID43721153
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile
SMILESCc1ccc(CNc2cccc(OCC#N)c2)o1
InChIInChI=1S/C14H14N2O2/c1-11-5-6-14(18-11)10-16-12-3-2-4-13(9-12)17-8-7-15/h2-6,9,16H,8,10H2,1H3
InChIKeyNELVXJQBMJHNHP-UHFFFAOYSA-N
XLogP3.10
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-(cyanomethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317142
N-[(5-methylfuran-2-yl)methyl]-3-(2-methylpropoxy)aniline
CID 54864368
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
2-[3-[(3,4-dimethylphenyl)methylamino]phenoxy]acetonitrile
CID 43786086
2-[3-[(4-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 62136451
2-[3-[(5-fluoro-2-methylphenyl)methylamino]phenoxy]acetonitrile
CID 103960910
3-N-[(5-methylfuran-2-yl)methyl]benzene-1,3-diamine
CID 62525026
2-[3-[(4-propan-2-ylphenyl)methylamino]phenoxy]acetonitrile
CID 43721163
2-[3-(1,3-thiazol-5-ylmethylamino)phenoxy]acetonitrile
CID 62760732
2-[3-[(3,4-dihydroxyphenyl)methylamino]phenoxy]acetonitrile
CID 43721156
2-[3-[(2,5-difluorophenyl)methylamino]phenoxy]acetonitrile
CID 43721091
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile?
The IUPAC name of 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile (CID 43721153) is 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile.
What is the SMILES notation for 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile?
The canonical SMILES for 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile is Cc1ccc(CNc2cccc(OCC#N)c2)o1.
What is the InChIKey of 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile?
The InChIKey is NELVXJQBMJHNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11-5-6-14(18-11)10-16-12-3-2-4-13(9-12)17-8-7-15/h2-6,9,16H,8,10H2,1H3.
What are the key properties of 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile?
2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile has a molecular weight of 242.28 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-methylfuran-2-yl)methylamino]phenoxy]acetonitrile is sourced from PubChem (CID 43721153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).