3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide

C15H21ClN2O2 — CID 114319182

IUPAC3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C15H21ClN2O2/c1-2-17-15(19)8-9-20-14-5-3-4-13(16)12(14)10-18-11-6-7-11/h3-5,11,18H,2,6-10H2,1H3,(H,17,19)
InChIKeyFPRKIHSTSJYSDQ-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.50
Rot. Bonds8

About 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide

3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide (PubChem CID 114319182) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
PubChem CID114319182
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
SMILESCCNC(=O)CCOc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C15H21ClN2O2/c1-2-17-15(19)8-9-20-14-5-3-4-13(16)12(14)10-18-11-6-7-11/h3-5,11,18H,2,6-10H2,1H3,(H,17,19)
InChIKeyFPRKIHSTSJYSDQ-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-[2-(dimethylamino)ethoxy]phenyl]methyl]cyclopropanamine
CID 113276682
2-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N,N-diethylacetamide
CID 114319211
5-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 114319269
N-[[2-chloro-6-(3-fluoropropoxy)phenyl]methyl]cyclopropanamine
CID 114319278
N-[[2-chloro-6-(4-methylpentoxy)phenyl]methyl]cyclopropanamine
CID 115280986
3-[3-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 62324920
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
N-[[2-chloro-6-[(Z)-3-chloro-2-methylprop-2-enoxy]phenyl]methyl]cyclopropanamine
CID 114188741
3-[3-chloro-2-(ethylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 114318944
N-[[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methyl]cyclopropanamine
CID 114319356
3-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 107743568
3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The IUPAC name of 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide (CID 114319182) is 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide.
What is the SMILES notation for 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The canonical SMILES for 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide is CCNC(=O)CCOc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
The InChIKey is FPRKIHSTSJYSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-17-15(19)8-9-20-14-5-3-4-13(16)12(14)10-18-11-6-7-11/h3-5,11,18H,2,6-10H2,1H3,(H,17,19).
What are the key properties of 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide?
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide has a molecular weight of 296.80 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide is sourced from PubChem (CID 114319182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).