2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

C16H20N2O2 — CID 63590309

IUPAC2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cc2ccc(CN)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-12-3-8-15(20-12)11-18(2)16(19)9-13-4-6-14(10-17)7-5-13/h3-8H,9-11,17H2,1-2H3
InChIKeyCYSMMIPJUFBAOY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.25
Rot. Bonds5

About 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 63590309) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID63590309
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(C)C(=O)Cc2ccc(CN)cc2)o1
InChIInChI=1S/C16H20N2O2/c1-12-3-8-15(20-12)11-18(2)16(19)9-13-4-6-14(10-17)7-5-13/h3-8H,9-11,17H2,1-2H3
InChIKeyCYSMMIPJUFBAOY-UHFFFAOYSA-N
XLogP2.25
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 63590309) is 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(C)C(=O)Cc2ccc(CN)cc2)o1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is CYSMMIPJUFBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-3-8-15(20-12)11-18(2)16(19)9-13-4-6-14(10-17)7-5-13/h3-8H,9-11,17H2,1-2H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 63590309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).