methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate

C15H22ClNO3 — CID 114319806

IUPACmethyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
SMILESCOC(=O)C(C)Oc1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(14(18)19-5)20-13-8-6-7-12(16)11(13)9-17-15(2,3)4/h6-8,10,17H,9H2,1-5H3
InChIKeyXQDSRIKNBRAOEJ-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.17
Rot. Bonds5

About methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate

methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate (PubChem CID 114319806) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
PubChem CID114319806
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Namemethyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
SMILESCOC(=O)C(C)Oc1cccc(Cl)c1CNC(C)(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(14(18)19-5)20-13-8-6-7-12(16)11(13)9-17-15(2,3)4/h6-8,10,17H,9H2,1-5H3
InChIKeyXQDSRIKNBRAOEJ-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanamide
CID 114319843
ethyl 2-[3-chloro-2-(propylaminomethyl)phenoxy]propanoate
CID 114319515
N-[(2-butoxy-6-chlorophenyl)methyl]-2-methylpropan-2-amine
CID 113276749
methyl 2-(3-chloro-2-cyanophenoxy)propanoate
CID 114322384
N-[[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 114319778
methyl 2-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylpropanoate
CID 113456323
2-[3-chloro-2-(methylaminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 114318673
2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
CID 63072064
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553109
4-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]butanenitrile
CID 114319867
N-[[2-chloro-6-(3-methylsulfonylpropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 114319785
methyl 2-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]propanoate
CID 63058119

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate?
The IUPAC name of methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate (CID 114319806) is methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate.
What is the SMILES notation for methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate?
The canonical SMILES for methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate is COC(=O)C(C)Oc1cccc(Cl)c1CNC(C)(C)C.
What is the InChIKey of methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate?
The InChIKey is XQDSRIKNBRAOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(14(18)19-5)20-13-8-6-7-12(16)11(13)9-17-15(2,3)4/h6-8,10,17H,9H2,1-5H3.
What are the key properties of methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate?
methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate has a molecular weight of 299.80 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate is sourced from PubChem (CID 114319806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).