2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline

C12H12ClNO2 — CID 63204279

IUPAC2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2ccoc2)c1
InChIInChI=1S/C12H12ClNO2/c1-15-10-2-3-11(13)12(6-10)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3
InChIKeyGOJCAMGFKQMCIB-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline

2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline (PubChem CID 63204279) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
PubChem CID63204279
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
SMILESCOc1ccc(Cl)c(NCc2ccoc2)c1
InChIInChI=1S/C12H12ClNO2/c1-15-10-2-3-11(13)12(6-10)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3
InChIKeyGOJCAMGFKQMCIB-UHFFFAOYSA-N
XLogP3.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline 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

2,4,5-trichloro-N-(furan-3-ylmethyl)aniline
CID 63203660
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
3-chloro-N-(furan-3-ylmethyl)-4-methoxyaniline
CID 63203405
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-5-methoxyaniline
CID 55033030
N-(1-benzofuran-3-ylmethyl)-2-chloro-5-methoxyaniline
CID 80701310
5-tert-butyl-N-(furan-3-ylmethyl)-2-methoxyaniline
CID 55162228
2-chloro-5-methoxy-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867022
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
3-[(2-chloro-5-methoxyanilino)methyl]furan-2-carboxylic acid
CID 103243582
1-(2-chloro-5-methoxyanilino)-2-methylbutan-2-ol
CID 114492958

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline?
The IUPAC name of 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline (CID 63204279) is 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline.
What is the SMILES notation for 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline?
The canonical SMILES for 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline is COc1ccc(Cl)c(NCc2ccoc2)c1.
What is the InChIKey of 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline?
The InChIKey is GOJCAMGFKQMCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-15-10-2-3-11(13)12(6-10)14-7-9-4-5-16-8-9/h2-6,8,14H,7H2,1H3.
What are the key properties of 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline?
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline has a molecular weight of 237.69 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline is sourced from PubChem (CID 63204279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).