N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine

C15H19NO — CID 106887026

IUPACN-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1cc(C)ccc1C
InChIInChI=1S/C15H19NO/c1-4-16-10-15-13(7-8-17-15)14-9-11(2)5-6-12(14)3/h5-9,16H,4,10H2,1-3H3
InChIKeySWRDXMWQHVJANP-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.67
Rot. Bonds4

About N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine

N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887026) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106887026
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1cc(C)ccc1C
InChIInChI=1S/C15H19NO/c1-4-16-10-15-13(7-8-17-15)14-9-11(2)5-6-12(14)3/h5-9,16H,4,10H2,1-3H3
InChIKeySWRDXMWQHVJANP-UHFFFAOYSA-N
XLogP3.67
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine (CID 106887026) is N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1cc(C)ccc1C.
What is the InChIKey of N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is SWRDXMWQHVJANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-16-10-15-13(7-8-17-15)14-9-11(2)5-6-12(14)3/h5-9,16H,4,10H2,1-3H3.
What are the key properties of N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine?
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).