2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine

C17H23NO2 — CID 62444249

IUPAC2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccoc1COCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-11-15-9-10-20-16(15)13-19-12-14-7-5-4-6-8-14/h4-10,18H,11-13H2,1-3H3
InChIKeyZYJNMJZENMACFN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.88
Rot. Bonds6

About 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine (PubChem CID 62444249) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
PubChem CID62444249
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1ccoc1COCc1ccccc1
InChIInChI=1S/C17H23NO2/c1-17(2,3)18-11-15-9-10-20-16(15)13-19-12-14-7-5-4-6-8-14/h4-10,18H,11-13H2,1-3H3
InChIKeyZYJNMJZENMACFN-UHFFFAOYSA-N
XLogP3.88
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[3-(phenylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444839
2-methyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propan-2-amine
CID 62446348
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911
N-[[2-(heptoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62455635
N-[[2-(hexoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62456817
N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 65125402
2-methyl-N-[[2-(2-methylbutan-2-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62456990
N-[[3-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63936374
2-methyl-N-[[2-(pyridin-3-yloxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62451201
3-phenylmethoxy-2-(phenylmethoxymethyl)furan
CID 14859945
2-methyl-N-[[2-(oxolan-2-ylmethoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62444617
3-fluoro-2-(phenylmethoxymethyl)furan
CID 23656002

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine (CID 62444249) is 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine is CC(C)(C)NCc1ccoc1COCc1ccccc1.
What is the InChIKey of 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
The InChIKey is ZYJNMJZENMACFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17(2,3)18-11-15-9-10-20-16(15)13-19-12-14-7-5-4-6-8-14/h4-10,18H,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(phenylmethoxymethyl)furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).