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

C18H25NO2 — CID 62444776

IUPAC2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(OCc1ccc(CNC(C)(C)C)o1)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(15-8-6-5-7-9-15)20-13-17-11-10-16(21-17)12-19-18(2,3)4/h5-11,14,19H,12-13H2,1-4H3
InChIKeyAFCOZQAOAZQYTP-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.45
Rot. Bonds6

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

2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 62444776) 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-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID62444776
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCC(OCc1ccc(CNC(C)(C)C)o1)c1ccccc1
InChIInChI=1S/C18H25NO2/c1-14(15-8-6-5-7-9-15)20-13-17-11-10-16(21-17)12-19-18(2,3)4/h5-11,14,19H,12-13H2,1-4H3
InChIKeyAFCOZQAOAZQYTP-UHFFFAOYSA-N
XLogP4.45
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-(1,1,1-trifluoropropan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 66275770
N-[[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62460827
N-[[5-[(2-fluorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62452473
2-methyl-N-[[5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62442463
N-[[5-(3,3-dimethylbutoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 66226145
N-[[3-methyl-5-(1-phenylethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445521
2-methyl-N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62444006
N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine
CID 62444589
5-(1-phenylethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397458
N-[[5-[3-(2-methoxyethoxy)propoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 103401859
N-[[5-(hexoxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62457603
N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62443630

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine (CID 62444776) is 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine is CC(OCc1ccc(CNC(C)(C)C)o1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is AFCOZQAOAZQYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14(15-8-6-5-7-9-15)20-13-17-11-10-16(21-17)12-19-18(2,3)4/h5-11,14,19H,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 287.40 g/mol, XLogP of 4.45, 6 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-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62444776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).