2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide

C14H20N2O2 — CID 81318520

IUPAC2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESNCc1ccccc1CC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O2/c15-9-12-5-2-1-4-11(12)8-14(17)16-10-13-6-3-7-18-13/h1-2,4-5,13H,3,6-10,15H2,(H,16,17)
InChIKeyPZVXECYJCPWFGZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.98
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 81318520) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID81318520
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
SMILESNCc1ccccc1CC(=O)NCC1CCCO1
InChIInChI=1S/C14H20N2O2/c15-9-12-5-2-1-4-11(12)8-14(17)16-10-13-6-3-7-18-13/h1-2,4-5,13H,3,6-10,15H2,(H,16,17)
InChIKeyPZVXECYJCPWFGZ-UHFFFAOYSA-N
XLogP0.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
2-(2-nitrophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 2874725
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
CID 174883544
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
N'-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943622
2-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 56922703
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
2-[2-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]acetic acid
CID 80721764
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
2-benzo[e][1]benzofuran-1-yl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7964651

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide (CID 81318520) is 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide is NCc1ccccc1CC(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is PZVXECYJCPWFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-9-12-5-2-1-4-11(12)8-14(17)16-10-13-6-3-7-18-13/h1-2,4-5,13H,3,6-10,15H2,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 81318520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).