3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide

C14H20N2O2 — CID 43311904

IUPAC3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
SMILESCC(COc1cccc(CNC2CC2)c1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-10(14(15)17)9-18-13-4-2-3-11(7-13)8-16-12-5-6-12/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyZNPOUPILBVYBDB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.44
Rot. Bonds7

About 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide

3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide (PubChem CID 43311904) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
PubChem CID43311904
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
SMILESCC(COc1cccc(CNC2CC2)c1)C(N)=O
InChIInChI=1S/C14H20N2O2/c1-10(14(15)17)9-18-13-4-2-3-11(7-13)8-16-12-5-6-12/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H2,15,17)
InChIKeyZNPOUPILBVYBDB-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900614
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 107743597
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
1-[3-[(cyclopropylamino)methyl]phenoxy]-2,3-dimethylbutan-2-ol
CID 114491649
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
1-cyclopentyl-3-[3-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 103156399
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
The IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide (CID 43311904) is 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide is CC(COc1cccc(CNC2CC2)c1)C(N)=O.
What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
The InChIKey is ZNPOUPILBVYBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(14(15)17)9-18-13-4-2-3-11(7-13)8-16-12-5-6-12/h2-4,7,10,12,16H,5-6,8-9H2,1H3,(H2,15,17).
What are the key properties of 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide?
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 43311904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).