N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine

C19H19NO — CID 106887400

IUPACN-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-2-20-14-19-18(12-13-21-19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,20H,2,14H2,1H3
InChIKeyBLEKAGZJLNZMHI-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.72
Rot. Bonds5

About N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine

N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887400) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
PubChem CID106887400
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC NameN-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19NO/c1-2-20-14-19-18(12-13-21-19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,20H,2,14H2,1H3
InChIKeyBLEKAGZJLNZMHI-UHFFFAOYSA-N
XLogP4.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine (CID 106887400) is N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine?
The InChIKey is BLEKAGZJLNZMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-20-14-19-18(12-13-21-19)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-13,20H,2,14H2,1H3.
What are the key properties of N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine?
N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-phenylphenyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).