ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate

C17H25NO3 — CID 83034609

IUPACethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
SMILESCCCC(Oc1ccc(CNC2CC2)cc1)C(=O)OCC
InChIInChI=1S/C17H25NO3/c1-3-5-16(17(19)20-4-2)21-15-10-6-13(7-11-15)12-18-14-8-9-14/h6-7,10-11,14,16,18H,3-5,8-9,12H2,1-2H3
InChIKeyMSJLYKWJJDSUNT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.05
Rot. Bonds9

About ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate

ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate (PubChem CID 83034609) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
PubChem CID83034609
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
SMILESCCCC(Oc1ccc(CNC2CC2)cc1)C(=O)OCC
InChIInChI=1S/C17H25NO3/c1-3-5-16(17(19)20-4-2)21-15-10-6-13(7-11-15)12-18-14-8-9-14/h6-7,10-11,14,16,18H,3-5,8-9,12H2,1-2H3
InChIKeyMSJLYKWJJDSUNT-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate 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

2-[4-[(cyclopropylamino)methyl]phenoxy]-N-propylpropanamide
CID 43277091
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
CID 83035105
ethyl 2-[[6-[(cyclopropylamino)methyl]-3-pyridinyl]oxy]butanoate
CID 79781152
4-[(4-propan-2-yloxyphenyl)methylamino]cyclohexan-1-ol
CID 43761673
N-carbamoyl-2-[4-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43277090
ethyl 2-[2-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 64669700
ethyl 2-[2-bromo-4-[(cyclopropylamino)methyl]phenoxy]propanoate
CID 63046063
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
2-[3-[(cyclopropylamino)methyl]phenoxy]butanamide
CID 55131413
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate?
The IUPAC name of ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate (CID 83034609) is ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate?
The canonical SMILES for ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate is CCCC(Oc1ccc(CNC2CC2)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate?
The InChIKey is MSJLYKWJJDSUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-5-16(17(19)20-4-2)21-15-10-6-13(7-11-15)12-18-14-8-9-14/h6-7,10-11,14,16,18H,3-5,8-9,12H2,1-2H3.
What are the key properties of ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate?
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate has a molecular weight of 291.39 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate is sourced from PubChem (CID 83034609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).