N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine

C16H19NO3 — CID 106887054

IUPACN-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ccoc2CNC2CC2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-18-12-5-6-13(15(9-12)19-2)14-7-8-20-16(14)10-17-11-3-4-11/h5-9,11,17H,3-4,10H2,1-2H3
InChIKeyZBGIFTZEHGLDAD-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.22
Rot. Bonds6

About N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106887054) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106887054
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-c2ccoc2CNC2CC2)c(OC)c1
InChIInChI=1S/C16H19NO3/c1-18-12-5-6-13(15(9-12)19-2)14-7-8-20-16(14)10-17-11-3-4-11/h5-9,11,17H,3-4,10H2,1-2H3
InChIKeyZBGIFTZEHGLDAD-UHFFFAOYSA-N
XLogP3.22
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine 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-(2,4-dimethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61034434
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271892
N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 167726962
N-[[3-(2-fluoro-5-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106886738
N-[[3-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886975
N-[[3-[(3-methoxyphenyl)methoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62440737
N-[(2,5-dimethoxyphenyl)methyl]cyclopentanamine
CID 792687
N-[(2-cyclopentyloxy-5-methoxyphenyl)methyl]cyclopropanamine
CID 43276489
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(4-methoxy-2-prop-2-enoxyphenyl)methyl]cyclopropanamine
CID 61267827
N-[[3-(3-cyclopropyloxyphenyl)furan-2-yl]methyl]cyclopropanamine
CID 106888078
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine (CID 106887054) is N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine is COc1ccc(-c2ccoc2CNC2CC2)c(OC)c1.
What is the InChIKey of N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is ZBGIFTZEHGLDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-18-12-5-6-13(15(9-12)19-2)14-7-8-20-16(14)10-17-11-3-4-11/h5-9,11,17H,3-4,10H2,1-2H3.
What are the key properties of N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 273.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dimethoxyphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106887054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).