methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate

C14H19NO4 — CID 60881875

IUPACmethyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-13-7-10(8-15-11-4-5-11)3-6-12(13)19-9-14(16)18-2/h3,6-7,11,15H,4-5,8-9H2,1-2H3
InChIKeyNQASFSCNWHRLRD-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.50
Rot. Bonds7

About methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate

methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate (PubChem CID 60881875) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
PubChem CID60881875
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate
SMILESCOC(=O)COc1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C14H19NO4/c1-17-13-7-10(8-15-11-4-5-11)3-6-12(13)19-9-14(16)18-2/h3,6-7,11,15H,4-5,8-9H2,1-2H3
InChIKeyNQASFSCNWHRLRD-UHFFFAOYSA-N
XLogP1.50
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-methoxy-4-(methylaminomethyl)phenoxy]acetate
CID 60882991
1-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 60881124
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 43278862
4-[(4-ethoxy-3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509717
N-[[3-methoxy-4-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 104646908
2-[4-[(cyclopentylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 17213450
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]cyclopropanamine
CID 60881685
2-[2-methoxy-4-[[(4-methylcyclohexyl)amino]methyl]phenoxy]ethanol
CID 111466387
methyl 2-[4-[(cyclopropylamino)methyl]-2,6-dimethylphenoxy]acetate
CID 60880238
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60882265
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 62314200

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate?
The IUPAC name of methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate (CID 60881875) is methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate is COC(=O)COc1ccc(CNC2CC2)cc1OC.
What is the InChIKey of methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate?
The InChIKey is NQASFSCNWHRLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-13-7-10(8-15-11-4-5-11)3-6-12(13)19-9-14(16)18-2/h3,6-7,11,15H,4-5,8-9H2,1-2H3.
What are the key properties of methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate?
methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(cyclopropylamino)methyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 60881875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).