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

C16H21NO2 — CID 62453127

IUPACN-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
SMILESCNCc1coc(COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H21NO2/c1-12(2)14-4-6-15(7-5-14)19-11-16-8-13(9-17-3)10-18-16/h4-8,10,12,17H,9,11H2,1-3H3
InChIKeyDTMVRFZGKOHTIL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.70
Rot. Bonds6

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

N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine (PubChem CID 62453127) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
PubChem CID62453127
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
SMILESCNCc1coc(COc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C16H21NO2/c1-12(2)14-4-6-15(7-5-14)19-11-16-8-13(9-17-3)10-18-16/h4-8,10,12,17H,9,11H2,1-3H3
InChIKeyDTMVRFZGKOHTIL-UHFFFAOYSA-N
XLogP3.70
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]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

2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62453015
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
1-[5-[(2,4-difluorophenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62450544
1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
1-[5-[(4-ethyl-2-methoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107668479
1-[5-(cyclopentyloxymethyl)furan-3-yl]-N-methylmethanamine
CID 62444242
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62485051
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62419547
N-[[5-[(3,5-dimethoxyphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62452104
[5-[(4-methylsulfanylphenoxy)methyl]furan-3-yl]methanamine
CID 63648763

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine (CID 62453127) is N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine is CNCc1coc(COc2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is DTMVRFZGKOHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(2)14-4-6-15(7-5-14)19-11-16-8-13(9-17-3)10-18-16/h4-8,10,12,17H,9,11H2,1-3H3.
What are the key properties of N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine?
N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62453127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).