2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile

C13H11BrN2O2 — CID 107467156

IUPAC2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1occc1Br
InChIInChI=1S/C13H11BrN2O2/c1-17-11-4-2-3-9(7-15)13(11)16-8-12-10(14)5-6-18-12/h2-6,16H,8H2,1H3
InChIKeyZEGNKFMFCZTMJG-UHFFFAOYSA-N
MW307.15 g/mol
LogP3.53
Rot. Bonds4

About 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile

2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile (PubChem CID 107467156) has the molecular formula C13H11BrN2O2 and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile
PubChem CID107467156
Molecular FormulaC13H11BrN2O2
Molecular Weight307.15 g/mol
Exact Mass306.00
IUPAC Name2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1occc1Br
InChIInChI=1S/C13H11BrN2O2/c1-17-11-4-2-3-9(7-15)13(11)16-8-12-10(14)5-6-18-12/h2-6,16H,8H2,1H3
InChIKeyZEGNKFMFCZTMJG-UHFFFAOYSA-N
XLogP3.53
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile 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

2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
2-[(2-bromo-4-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467448
2-[(3-bromo-2,6-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 106263819
3-methoxy-2-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 107467080
2-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466891
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylamino]-3-methoxybenzonitrile
CID 107467689
2-(2-ethoxyethylamino)-3-methoxybenzonitrile
CID 107467427
2-[(3-chloro-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466784

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile (CID 107467156) is 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NCc1occc1Br.
What is the InChIKey of 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile?
The InChIKey is ZEGNKFMFCZTMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2/c1-17-11-4-2-3-9(7-15)13(11)16-8-12-10(14)5-6-18-12/h2-6,16H,8H2,1H3.
What are the key properties of 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile?
2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile has a molecular weight of 307.15 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 107467156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).