3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide

C15H22N2O2 — CID 62324920

IUPAC3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-16-15(18)8-9-19-14-5-3-4-12(10-14)11-17-13-6-7-13/h3-5,10,13,17H,2,6-9,11H2,1H3,(H,16,18)
InChIKeyDAMBZZWUKMPJBO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds8

About 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide

3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide (PubChem CID 62324920) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
PubChem CID62324920
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1cccc(CNC2CC2)c1
InChIInChI=1S/C15H22N2O2/c1-2-16-15(18)8-9-19-14-5-3-4-12(10-14)11-17-13-6-7-13/h3-5,10,13,17H,2,6-9,11H2,1H3,(H,16,18)
InChIKeyDAMBZZWUKMPJBO-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(cyclopropylamino)methyl]phenoxy]propanamide
CID 43278492
methyl 4-[3-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 60881675
N-[[3-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471432
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-[[3-(2-ethylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 43807424
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 107743568
N-[(3-propoxyphenyl)methyl]cycloheptanamine
CID 29222103
2-(cyclopropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 60873169
3-[3-(ethylaminomethyl)phenoxy]-N-methylpropanamide
CID 62324546
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
4-[[3-(3-methoxypropoxy)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509883
N-[[3-(2-phenylethoxy)phenyl]methyl]cyclopropanamine
CID 39366699

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide (CID 62324920) is 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1cccc(CNC2CC2)c1.
What is the InChIKey of 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The InChIKey is DAMBZZWUKMPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-16-15(18)8-9-19-14-5-3-4-12(10-14)11-17-13-6-7-13/h3-5,10,13,17H,2,6-9,11H2,1H3,(H,16,18).
What are the key properties of 3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.84, 8 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]-N-ethylpropanamide is sourced from PubChem (CID 62324920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).