1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine

C15H19NO — CID 62498081

IUPAC1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine
SMILESCCc1cccc(-c2ccc(C(C)NC)o2)c1
InChIInChI=1S/C15H19NO/c1-4-12-6-5-7-13(10-12)15-9-8-14(17-15)11(2)16-3/h5-11,16H,4H2,1-3H3
InChIKeyKUDJMMUFQHXCDI-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.79
Rot. Bonds4

About 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine

1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine (PubChem CID 62498081) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine
PubChem CID62498081
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine
SMILESCCc1cccc(-c2ccc(C(C)NC)o2)c1
InChIInChI=1S/C15H19NO/c1-4-12-6-5-7-13(10-12)15-9-8-14(17-15)11(2)16-3/h5-11,16H,4H2,1-3H3
InChIKeyKUDJMMUFQHXCDI-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[3-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 55084099
(1S)-1-(5-ethylfuran-2-yl)-N-methylethanamine
CID 94399040
1-[5-[4-(methoxymethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 114253223
1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
CID 55118751
1-[5-(4-chlorophenyl)furan-2-yl]-N-methylethanamine
CID 62498077
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
N-methyl-1-(5-quinolin-6-ylfuran-2-yl)ethanamine
CID 55097450
1-[5-[3-[(dimethylamino)methyl]phenyl]furan-2-yl]ethanamine
CID 82541595
1-[5-[4-bromo-3-(trifluoromethyl)phenyl]furan-2-yl]-N-methylethanamine
CID 64855703
(1R)-N-methyl-1-(5-propylfuran-2-yl)ethanamine
CID 55276658
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine?
The IUPAC name of 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine (CID 62498081) is 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine is CCc1cccc(-c2ccc(C(C)NC)o2)c1.
What is the InChIKey of 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine?
The InChIKey is KUDJMMUFQHXCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-12-6-5-7-13(10-12)15-9-8-14(17-15)11(2)16-3/h5-11,16H,4H2,1-3H3.
What are the key properties of 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine?
1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine is sourced from PubChem (CID 62498081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).