3-[2-(ethylaminomethyl)phenoxy]propanamide

C12H18N2O2 — CID 43277204

IUPAC3-[2-(ethylaminomethyl)phenoxy]propanamide
SMILESCCNCc1ccccc1OCCC(N)=O
InChIInChI=1S/C12H18N2O2/c1-2-14-9-10-5-3-4-6-11(10)16-8-7-12(13)15/h3-6,14H,2,7-9H2,1H3,(H2,13,15)
InChIKeyRBBZJMAWGPESMS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds7

About 3-[2-(ethylaminomethyl)phenoxy]propanamide

3-[2-(ethylaminomethyl)phenoxy]propanamide (PubChem CID 43277204) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)phenoxy]propanamide
PubChem CID43277204
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[2-(ethylaminomethyl)phenoxy]propanamide
SMILESCCNCc1ccccc1OCCC(N)=O
InChIInChI=1S/C12H18N2O2/c1-2-14-9-10-5-3-4-6-11(10)16-8-7-12(13)15/h3-6,14H,2,7-9H2,1H3,(H2,13,15)
InChIKeyRBBZJMAWGPESMS-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylphenoxy)butanamide
CID 82040636
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992
3-[2-(2-aminobutyl)phenoxy]propanamide
CID 60907585
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 119439282
N-ethyl-3-[2-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055805
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
3-(2-aminophenoxy)propanamide
CID 39869131
4-[(2-methoxyphenyl)methylamino]butanamide
CID 60863188

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylaminomethyl)phenoxy]propanamide?
The IUPAC name of 3-[2-(ethylaminomethyl)phenoxy]propanamide (CID 43277204) is 3-[2-(ethylaminomethyl)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(ethylaminomethyl)phenoxy]propanamide?
The canonical SMILES for 3-[2-(ethylaminomethyl)phenoxy]propanamide is CCNCc1ccccc1OCCC(N)=O.
What is the InChIKey of 3-[2-(ethylaminomethyl)phenoxy]propanamide?
The InChIKey is RBBZJMAWGPESMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-14-9-10-5-3-4-6-11(10)16-8-7-12(13)15/h3-6,14H,2,7-9H2,1H3,(H2,13,15).
What are the key properties of 3-[2-(ethylaminomethyl)phenoxy]propanamide?
3-[2-(ethylaminomethyl)phenoxy]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)phenoxy]propanamide is sourced from PubChem (CID 43277204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).