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

C15H22N2O2 — CID 81321967

IUPAC2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)Cc2ccccc2CN)CCCO1
InChIInChI=1S/C15H22N2O2/c1-15(7-4-8-19-15)11-17-14(18)9-12-5-2-3-6-13(12)10-16/h2-3,5-6H,4,7-11,16H2,1H3,(H,17,18)
InChIKeyWBEARFYMGGEWIE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.37
Rot. Bonds5

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

2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide (PubChem CID 81321967) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
PubChem CID81321967
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
SMILESCC1(CNC(=O)Cc2ccccc2CN)CCCO1
InChIInChI=1S/C15H22N2O2/c1-15(7-4-8-19-15)11-17-14(18)9-12-5-2-3-6-13(12)10-16/h2-3,5-6H,4,7-11,16H2,1H3,(H,17,18)
InChIKeyWBEARFYMGGEWIE-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 81169258
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(2-methyloxolan-2-yl)methyl]acetamide
CID 110090746
4-amino-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119322777
1-(2,3-dihydro-1H-inden-2-yl)-3-[[(2R)-2-methyloxolan-2-yl]methyl]urea
CID 124618765
2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 107389450
2-(2-hydroxyphenyl)-N-[(1-methylcyclobutyl)methyl]acetamide
CID 103738243
2-[(2-methyloxolan-2-yl)methyl]benzamide
CID 162688650
N-[(2-methyloxolan-2-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615172
2-amino-N-[(2-methyloxolan-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668420
5-bromo-2-hydroxy-N-[(2-methyloxolan-2-yl)methyl]benzamide
CID 103747166
(2S)-2-amino-3-(1H-indol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]propanamide;hydrochloride
CID 119957354
2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide (CID 81321967) is 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide is CC1(CNC(=O)Cc2ccccc2CN)CCCO1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide?
The InChIKey is WBEARFYMGGEWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(7-4-8-19-15)11-17-14(18)9-12-5-2-3-6-13(12)10-16/h2-3,5-6H,4,7-11,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide?
2-[2-(aminomethyl)phenyl]-N-[(2-methyloxolan-2-yl)methyl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.37, 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-[(2-methyloxolan-2-yl)methyl]acetamide is sourced from PubChem (CID 81321967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).