N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine

C13H23NO2 — CID 62457187

IUPACN-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine
SMILESCCC(C)(C)OCc1cc(CNC)c(C)o1
InChIInChI=1S/C13H23NO2/c1-6-13(3,4)15-9-12-7-11(8-14-5)10(2)16-12/h7,14H,6,8-9H2,1-5H3
InChIKeyONRSNJGCYRFXNH-UHFFFAOYSA-N
MW225.33 g/mol
LogP3.01
Rot. Bonds6

About N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine

N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine (PubChem CID 62457187) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine
PubChem CID62457187
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine
SMILESCCC(C)(C)OCc1cc(CNC)c(C)o1
InChIInChI=1S/C13H23NO2/c1-6-13(3,4)15-9-12-7-11(8-14-5)10(2)16-12/h7,14H,6,8-9H2,1-5H3
InChIKeyONRSNJGCYRFXNH-UHFFFAOYSA-N
XLogP3.01
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-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

[5-methyl-4-(2-methylbutan-2-yloxymethyl)furan-2-yl]methanamine
CID 62455126
N-methyl-1-[2-methyl-5-(3,3,3-trifluoropropoxymethyl)furan-3-yl]methanamine
CID 82956639
1-[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 82006511
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
1-[5-[(3,5-difluorophenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62784341
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
CID 82791959
N-[[5-(ethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62446188
N-methyl-1-[2-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-3-yl]methanamine
CID 62456148
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604
1-[5-[(2,5-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62453040
1-[5-[(2,4-dimethylphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 55078077

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine (CID 62457187) is N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine is CCC(C)(C)OCc1cc(CNC)c(C)o1.
What is the InChIKey of N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine?
The InChIKey is ONRSNJGCYRFXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-13(3,4)15-9-12-7-11(8-14-5)10(2)16-12/h7,14H,6,8-9H2,1-5H3.
What are the key properties of N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine?
N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methyl-5-(2-methylbutan-2-yloxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62457187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).