methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate

C15H21NO3 — CID 60881675

IUPACmethyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
SMILESCOC(=O)CCCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)6-3-9-19-14-5-2-4-12(10-14)11-16-13-7-8-13/h2,4-5,10,13,16H,3,6-9,11H2,1H3
InChIKeyWCVAQMIDHSUSLE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.27
Rot. Bonds8

About methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate

methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate (PubChem CID 60881675) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
PubChem CID60881675
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
SMILESCOC(=O)CCCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)6-3-9-19-14-5-2-4-12(10-14)11-16-13-7-8-13/h2,4-5,10,13,16H,3,6-9,11H2,1H3
InChIKeyWCVAQMIDHSUSLE-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
methyl 4-[3-[(2-methoxyethylamino)methyl]phenoxy]butanoate
CID 63056407
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699
methyl 4-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 107743136
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-propylcyclohexan-1-amine
CID 112839371
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
4-[[3-(3-phenylpropoxy)phenyl]methylamino]cyclohexan-1-ol
CID 119128369

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate?
The IUPAC name of methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate (CID 60881675) is methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate.
What is the SMILES notation for methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate?
The canonical SMILES for methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate is COC(=O)CCCOc1cccc(CNC2CC2)c1.
What is the InChIKey of methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate?
The InChIKey is WCVAQMIDHSUSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)6-3-9-19-14-5-2-4-12(10-14)11-16-13-7-8-13/h2,4-5,10,13,16H,3,6-9,11H2,1H3.
What are the key properties of methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate?
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate has a molecular weight of 263.34 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate is sourced from PubChem (CID 60881675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).