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

C16H21NO2 — CID 62444589

IUPACN-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine
SMILESCNCc1cc(COC(C)c2ccccc2)c(C)o1
InChIInChI=1S/C16H21NO2/c1-12(14-7-5-4-6-8-14)18-11-15-9-16(10-17-3)19-13(15)2/h4-9,12,17H,10-11H2,1-3H3
InChIKeyYVAMAUNZWWMZMW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.59
Rot. Bonds6

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

N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine (PubChem CID 62444589) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine
PubChem CID62444589
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine
SMILESCNCc1cc(COC(C)c2ccccc2)c(C)o1
InChIInChI=1S/C16H21NO2/c1-12(14-7-5-4-6-8-14)18-11-15-9-16(10-17-3)19-13(15)2/h4-9,12,17H,10-11H2,1-3H3
InChIKeyYVAMAUNZWWMZMW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[5-methyl-4-(3-phenylpropoxymethyl)furan-2-yl]methanamine
CID 62484208
N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445521
1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62454585
1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62486591
N-methyl-1-[5-methyl-4-(2-pyridin-2-ylethoxymethyl)furan-2-yl]methanamine
CID 62456490
2-methyl-N-[[5-methyl-4-(propan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62455407
N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 55246356
2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 62428024
1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55077983
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-propan-2-yloxyethanamine
CID 81067291
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
N-methyl-1-[2-methyl-5-[(2-methylphenoxy)methyl]furan-3-yl]methanamine
CID 62453604

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine (CID 62444589) is N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine is CNCc1cc(COC(C)c2ccccc2)c(C)o1.
What is the InChIKey of N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine?
The InChIKey is YVAMAUNZWWMZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(14-7-5-4-6-8-14)18-11-15-9-16(10-17-3)19-13(15)2/h4-9,12,17H,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine?
N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 3.59, 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-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine is sourced from PubChem (CID 62444589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).