3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide

C13H18N2O2 — CID 43278492

IUPAC3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
SMILESNC(=O)CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C13H18N2O2/c14-13(16)6-7-17-12-3-1-2-10(8-12)9-15-11-4-5-11/h1-3,8,11,15H,4-7,9H2,(H2,14,16)
InChIKeyBRYJIBUYJNJLFZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.19
Rot. Bonds7

About 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide

3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide (PubChem CID 43278492) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide.

Molecular Properties

Compound Name3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
PubChem CID43278492
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
SMILESNC(=O)CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C13H18N2O2/c14-13(16)6-7-17-12-3-1-2-10(8-12)9-15-11-4-5-11/h1-3,8,11,15H,4-7,9H2,(H2,14,16)
InChIKeyBRYJIBUYJNJLFZ-UHFFFAOYSA-N
XLogP1.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
3-[3-[(cyclopropylamino)methyl]phenoxy]-2-methylpropanamide
CID 43311904
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
4-[[3-(cyanomethoxy)phenyl]methylamino]cyclohexane-1-carboxamide
CID 43791650
2-[3-[(cyclohexylamino)methyl]phenoxy]acetic acid
CID 102535848
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide?
The IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide (CID 43278492) is 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide.
What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide?
The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide is NC(=O)CCOc1cccc(CNC2CC2)c1.
What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide?
The InChIKey is BRYJIBUYJNJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(16)6-7-17-12-3-1-2-10(8-12)9-15-11-4-5-11/h1-3,8,11,15H,4-7,9H2,(H2,14,16).
What are the key properties of 3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide?
3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide has a molecular weight of 234.30 g/mol, XLogP of 1.19, 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]propanamide is sourced from PubChem (CID 43278492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).