1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine

C16H21NO — CID 55083630

IUPAC1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(C)cc2C)o1
InChIInChI=1S/C16H21NO/c1-5-17-13(4)15-8-9-16(18-15)14-7-6-11(2)10-12(14)3/h6-10,13,17H,5H2,1-4H3
InChIKeyYIHNBXVRRXVPMU-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.23
Rot. Bonds4

About 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine

1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine (PubChem CID 55083630) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
PubChem CID55083630
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(-c2ccc(C)cc2C)o1
InChIInChI=1S/C16H21NO/c1-5-17-13(4)15-8-9-16(18-15)14-7-6-11(2)10-12(14)3/h6-10,13,17H,5H2,1-4H3
InChIKeyYIHNBXVRRXVPMU-UHFFFAOYSA-N
XLogP4.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
The IUPAC name of 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine (CID 55083630) is 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
The canonical SMILES for 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine is CCNC(C)c1ccc(-c2ccc(C)cc2C)o1.
What is the InChIKey of 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
The InChIKey is YIHNBXVRRXVPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-5-17-13(4)15-8-9-16(18-15)14-7-6-11(2)10-12(14)3/h6-10,13,17H,5H2,1-4H3.
What are the key properties of 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine?
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine has a molecular weight of 243.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine is sourced from PubChem (CID 55083630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).