2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine

C18H25NO2 — CID 62443435

IUPAC2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1coc(COC(C)c2ccccc2)c1
InChIInChI=1S/C18H25NO2/c1-14(2)10-19-11-16-9-18(21-12-16)13-20-15(3)17-7-5-4-6-8-17/h4-9,12,14-15,19H,10-11,13H2,1-3H3
InChIKeyMVCSNBZBDHLUNC-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.30
Rot. Bonds8

About 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine

2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine (PubChem CID 62443435) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
PubChem CID62443435
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1coc(COC(C)c2ccccc2)c1
InChIInChI=1S/C18H25NO2/c1-14(2)10-19-11-16-9-18(21-12-16)13-20-15(3)17-7-5-4-6-8-17/h4-9,12,14-15,19H,10-11,13H2,1-3H3
InChIKeyMVCSNBZBDHLUNC-UHFFFAOYSA-N
XLogP4.30
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444006
N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 103490491
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-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 114342453
N-[[5-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63498761
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63497529
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64739134
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 116793496
2-methyl-N-[[5-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443834
N-[[5-(indazol-1-ylmethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62448270
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine (CID 62443435) is 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine is CC(C)CNCc1coc(COC(C)c2ccccc2)c1.
What is the InChIKey of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
The InChIKey is MVCSNBZBDHLUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(2)10-19-11-16-9-18(21-12-16)13-20-15(3)17-7-5-4-6-8-17/h4-9,12,14-15,19H,10-11,13H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine?
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine has a molecular weight of 287.40 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62443435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).