methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate

C14H17Cl2NO3 — CID 63947658

IUPACmethyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1c(Cl)cc(Cl)cc1CNC1CC1
InChIInChI=1S/C14H17Cl2NO3/c1-19-13(18)4-5-20-14-9(8-17-11-2-3-11)6-10(15)7-12(14)16/h6-7,11,17H,2-5,8H2,1H3
InChIKeyLFCARSVXGXVUDG-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.19
Rot. Bonds7

About methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate

methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate (PubChem CID 63947658) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
PubChem CID63947658
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC Namemethyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate
SMILESCOC(=O)CCOc1c(Cl)cc(Cl)cc1CNC1CC1
InChIInChI=1S/C14H17Cl2NO3/c1-19-13(18)4-5-20-14-9(8-17-11-2-3-11)6-10(15)7-12(14)16/h6-7,11,17H,2-5,8H2,1H3
InChIKeyLFCARSVXGXVUDG-UHFFFAOYSA-N
XLogP3.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 62227671
N-[[3,5-dichloro-2-(3-methoxy-3-methylbutoxy)phenyl]methyl]cyclopropanamine
CID 103032725
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanamine
CID 82500447
methyl 3-[2-[(cyclopropylamino)methyl]-6-fluorophenoxy]propanoate
CID 112609795
N-[[3,5-dichloro-2-(2-chloroprop-2-enoxy)phenyl]methyl]cyclopropanamine
CID 60889636
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
1-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]-3-ethoxypropan-2-ol
CID 63933960
methyl 4-[2,6-dibromo-4-[(cyclopropylamino)methyl]phenoxy]butanoate
CID 107743136
N-[[5-chloro-3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]cyclopropanamine
CID 104664947
3-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N,N-dimethylpropanamide
CID 54879135
methyl 4-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]butanoate
CID 60880078

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate?
The IUPAC name of methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate (CID 63947658) is methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate.
What is the SMILES notation for methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate?
The canonical SMILES for methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate is COC(=O)CCOc1c(Cl)cc(Cl)cc1CNC1CC1.
What is the InChIKey of methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate?
The InChIKey is LFCARSVXGXVUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c1-19-13(18)4-5-20-14-9(8-17-11-2-3-11)6-10(15)7-12(14)16/h6-7,11,17H,2-5,8H2,1H3.
What are the key properties of methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate?
methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate has a molecular weight of 318.20 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]propanoate is sourced from PubChem (CID 63947658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).