2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide

C15H22N2O3 — CID 43533761

IUPAC2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccccc1CN)C1CCCO1
InChIInChI=1S/C15H22N2O3/c1-11(13-7-4-8-19-13)17-15(18)10-20-14-6-3-2-5-12(14)9-16/h2-3,5-6,11,13H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyQNAWHCLIDOVJFI-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide

2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 43533761) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID43533761
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccccc1CN)C1CCCO1
InChIInChI=1S/C15H22N2O3/c1-11(13-7-4-8-19-13)17-15(18)10-20-14-6-3-2-5-12(14)9-16/h2-3,5-6,11,13H,4,7-10,16H2,1H3,(H,17,18)
InChIKeyQNAWHCLIDOVJFI-UHFFFAOYSA-N
XLogP1.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(oxolan-2-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 6468778
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 40636423
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 2970318
2-[2-(aminomethyl)phenoxy]-N-(3-methylpentan-2-yl)acetamide
CID 61463337
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
2-[[2-[2-(aminomethyl)phenoxy]acetyl]amino]-N-ethylpropanamide
CID 43575741
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
N-[2-(2-ethylphenoxy)ethyl]-1-(oxolan-2-yl)ethanamine
CID 62598642
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
2-(3-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 61399786
2-(4-carbamothioylphenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 63590874

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 43533761) is 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)COc1ccccc1CN)C1CCCO1.
What is the InChIKey of 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is QNAWHCLIDOVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(13-7-4-8-19-13)17-15(18)10-20-14-6-3-2-5-12(14)9-16/h2-3,5-6,11,13H,4,7-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 43533761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).