N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline

C14H16ClNO3 — CID 60780447

IUPACN-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2ccc(Cl)o2)cc1OC
InChIInChI=1S/C14H16ClNO3/c1-9-6-12(17-2)13(18-3)7-11(9)16-8-10-4-5-14(15)19-10/h4-7,16H,8H2,1-3H3
InChIKeyWSKBNACJSUCLBT-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.87
Rot. Bonds5

About N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline

N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline (PubChem CID 60780447) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline
PubChem CID60780447
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline
SMILESCOc1cc(C)c(NCc2ccc(Cl)o2)cc1OC
InChIInChI=1S/C14H16ClNO3/c1-9-6-12(17-2)13(18-3)7-11(9)16-8-10-4-5-14(15)19-10/h4-7,16H,8H2,1-3H3
InChIKeyWSKBNACJSUCLBT-UHFFFAOYSA-N
XLogP3.87
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline 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-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
CID 64580358
2-chloro-4,5-dimethoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43712372
N-[(5-chlorofuran-2-yl)methyl]-2,5-dimethyl-4-nitroaniline
CID 103145087
N-[(3,5-dichlorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 60789912
3-[(5-chlorofuran-2-yl)methylamino]-4-methylbenzonitrile
CID 62105766
N-[(5-chlorofuran-2-yl)methyl]-2-methyl-5-nitroaniline
CID 60780449
N-benzyl-4,5-dimethoxy-2-methylaniline
CID 43230212
5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
CID 62344876
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
CID 60780204
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
CID 60780928
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline (CID 60780447) is N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline is COc1cc(C)c(NCc2ccc(Cl)o2)cc1OC.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline?
The InChIKey is WSKBNACJSUCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-9-6-12(17-2)13(18-3)7-11(9)16-8-10-4-5-14(15)19-10/h4-7,16H,8H2,1-3H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline?
N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline has a molecular weight of 281.74 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-4,5-dimethoxy-2-methylaniline is sourced from PubChem (CID 60780447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).