2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

C17H21NO3 — CID 43192907

IUPAC2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCOc1ccc(OC)c(NCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C17H21NO3/c1-11-8-14(11)16-6-5-13(21-16)10-18-15-9-12(19-2)4-7-17(15)20-3/h4-7,9,11,14,18H,8,10H2,1-3H3
InChIKeyHKICUGWBPAAWKF-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.03
Rot. Bonds6

About 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline

2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (PubChem CID 43192907) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
PubChem CID43192907
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
SMILESCOc1ccc(OC)c(NCc2ccc(C3CC3C)o2)c1
InChIInChI=1S/C17H21NO3/c1-11-8-14(11)16-6-5-13(21-16)10-18-15-9-12(19-2)4-7-17(15)20-3/h4-7,9,11,14,18H,8,10H2,1-3H3
InChIKeyHKICUGWBPAAWKF-UHFFFAOYSA-N
XLogP4.03
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline 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

N-(2,5-dimethoxyphenyl)-2-[methyl-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]amino]acetamide
CID 40882664
N-methyl-1-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 7131899
4-bromo-2-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 81292277
3-bromo-2-(methoxymethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 61168138
3,4-dichloro-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43107978
methyl 4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzoate
CID 43321572
4-bromo-2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]benzonitrile
CID 107797227
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-bromo-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline
CID 43194576
4-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-nitroaniline
CID 43718665
1,1-dimethyl-2-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]hydrazine
CID 83004795
N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]cyclopropanamine
CID 30116573

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The IUPAC name of 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline (CID 43192907) is 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is COc1ccc(OC)c(NCc2ccc(C3CC3C)o2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
The InChIKey is HKICUGWBPAAWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11-8-14(11)16-6-5-13(21-16)10-18-15-9-12(19-2)4-7-17(15)20-3/h4-7,9,11,14,18H,8,10H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline?
2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline has a molecular weight of 287.36 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]aniline is sourced from PubChem (CID 43192907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).