methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate

C14H21NO3 — CID 65235295

IUPACmethyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
SMILESCCCOc1cccc(C(CC(=O)OC)NC)c1
InChIInChI=1S/C14H21NO3/c1-4-8-18-12-7-5-6-11(9-12)13(15-2)10-14(16)17-3/h5-7,9,13,15H,4,8,10H2,1-3H3
InChIKeyIWRPCBQVGQPHQH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds7

About methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate

methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate (PubChem CID 65235295) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
PubChem CID65235295
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
SMILESCCCOc1cccc(C(CC(=O)OC)NC)c1
InChIInChI=1S/C14H21NO3/c1-4-8-18-12-7-5-6-11(9-12)13(15-2)10-14(16)17-3/h5-7,9,13,15H,4,8,10H2,1-3H3
InChIKeyIWRPCBQVGQPHQH-UHFFFAOYSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-methyl-3-methylidene-1-(3-propoxyphenyl)pentan-1-amine
CID 105005926
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
methyl 3-[3-(difluoromethyl)phenyl]-3-(methylamino)propanoate
CID 115529790
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-propoxyphenyl)ethanamine
CID 115842505
N,2-dimethyl-1-(3-propoxyphenyl)prop-2-en-1-amine
CID 105005311
2-(3-propoxyphenyl)butanoic acid
CID 54432962
1-(3-hexoxyphenyl)-N-methylpropan-1-amine
CID 114079145
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate?
The IUPAC name of methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate (CID 65235295) is methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate is CCCOc1cccc(C(CC(=O)OC)NC)c1.
What is the InChIKey of methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate?
The InChIKey is IWRPCBQVGQPHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-8-18-12-7-5-6-11(9-12)13(15-2)10-14(16)17-3/h5-7,9,13,15H,4,8,10H2,1-3H3.
What are the key properties of methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate?
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate is sourced from PubChem (CID 65235295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).