N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine

C17H23NO2 — CID 62484208

IUPACN-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine
SMILESCNCc1cc(COCCCc2ccccc2)c(C)o1
InChIInChI=1S/C17H23NO2/c1-14-16(11-17(20-14)12-18-2)13-19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,18H,6,9-10,12-13H2,1-2H3
InChIKeyXHNLWCVCNZWRTK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.46
Rot. Bonds8

About N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine

N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine (PubChem CID 62484208) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine
PubChem CID62484208
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine
SMILESCNCc1cc(COCCCc2ccccc2)c(C)o1
InChIInChI=1S/C17H23NO2/c1-14-16(11-17(20-14)12-18-2)13-19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,18H,6,9-10,12-13H2,1-2H3
InChIKeyXHNLWCVCNZWRTK-UHFFFAOYSA-N
XLogP3.46
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine 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

Furfenorex
CID 26762
4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
Furfurylamphetamine
CID 18116
N-(2-Furylmethyl)-2-methoxybenzamide
CID 803371
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
Benzyl(furan-2-ylmethyl)amine
CID 39338
N-(1,2-Diphenylethyl)-2-furanmethanamine
CID 3150631
2-ethoxy-N-(furan-2-ylmethyl)benzamide
CID 649290
N-[1-(4-Methoxyphenyl)-3-methyl-3-buten-1-yl]-2-furanmethanamine
CID 2772050

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine (CID 62484208) is N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine is CNCc1cc(COCCCc2ccccc2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine?
The InChIKey is XHNLWCVCNZWRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-16(11-17(20-14)12-18-2)13-19-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,11,18H,6,9-10,12-13H2,1-2H3.
What are the key properties of N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62484208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).