N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine

C18H25NO — CID 106888548

IUPACN-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)c(C)c(C)c(C)c2C)o1
InChIInChI=1S/C18H25NO/c1-7-19-10-16-8-9-17(20-16)18-14(5)12(3)11(2)13(4)15(18)6/h8-9,19H,7,10H2,1-6H3
InChIKeyNDWXIWUTKLOXID-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.60
Rot. Bonds4

About N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine

N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106888548) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106888548
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2c(C)c(C)c(C)c(C)c2C)o1
InChIInChI=1S/C18H25NO/c1-7-19-10-16-8-9-17(20-16)18-14(5)12(3)11(2)13(4)15(18)6/h8-9,19H,7,10H2,1-6H3
InChIKeyNDWXIWUTKLOXID-UHFFFAOYSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,3,4,6-tetrachlorophenyl)furan-2-yl]methyl]ethanamine
CID 106889099
N-[[5-(5-methylthiophen-3-yl)furan-2-yl]methyl]ethanamine
CID 106887386
N-[[5-(4-chloro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 43624933
N-[[5-(2-methoxy-5-methylphenyl)furan-2-yl]methyl]ethanamine
CID 106887131
N-[[5-(3-propylphenyl)furan-2-yl]methyl]ethanamine
CID 106888028
N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
CID 104724948
N-[[5-(2-ethoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887098
N-[[5-(4-propan-2-yloxyphenyl)furan-2-yl]methyl]ethanamine
CID 84756405
N-[[5-(2,6-dibromo-4-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 43624854
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
N-[[5-(2-methoxy-4-pyridinyl)furan-2-yl]methyl]ethanamine
CID 106887863

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine (CID 106888548) is N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine is CCNCc1ccc(-c2c(C)c(C)c(C)c(C)c2C)o1.
What is the InChIKey of N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is NDWXIWUTKLOXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-7-19-10-16-8-9-17(20-16)18-14(5)12(3)11(2)13(4)15(18)6/h8-9,19H,7,10H2,1-6H3.
What are the key properties of N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine?
N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3,4,5,6-pentamethylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106888548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).