2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide

C15H22N2O2 — CID 82737840

IUPAC2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
SMILESCC1OCCC1N(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)17(2)15(18)9-12-5-3-4-6-13(12)10-16/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyFQEYHAQXXBHRCW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide

2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide (PubChem CID 82737840) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
PubChem CID82737840
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide
SMILESCC1OCCC1N(C)C(=O)Cc1ccccc1CN
InChIInChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)17(2)15(18)9-12-5-3-4-6-13(12)10-16/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyFQEYHAQXXBHRCW-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide (CID 82737840) is 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide is CC1OCCC1N(C)C(=O)Cc1ccccc1CN.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide?
The InChIKey is FQEYHAQXXBHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-14(7-8-19-11)17(2)15(18)9-12-5-3-4-6-13(12)10-16/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide?
2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-methyl-N-(2-methyloxolan-3-yl)acetamide is sourced from PubChem (CID 82737840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).