methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate

C15H22FNO3 — CID 115970502

IUPACmethyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)Cc1cc(F)ccc1C
InChIInChI=1S/C15H22FNO3/c1-12-4-5-14(16)10-13(12)11-17(8-9-19-2)7-6-15(18)20-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyMUMDQRMSZMYFBT-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.15
Rot. Bonds8

About methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate

methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate (PubChem CID 115970502) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
PubChem CID115970502
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Namemethyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)Cc1cc(F)ccc1C
InChIInChI=1S/C15H22FNO3/c1-12-4-5-14(16)10-13(12)11-17(8-9-19-2)7-6-15(18)20-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyMUMDQRMSZMYFBT-UHFFFAOYSA-N
XLogP2.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-chloro-4-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78949288
methyl 4-[(5-fluoro-2-methylphenyl)methyl-methylamino]butanoate
CID 105374749
methyl 3-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-methoxyethyl)amino]propanoate
CID 107113550
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
methyl 3-[(4-fluoro-2-methylbenzoyl)-(2-methoxyethyl)amino]propanoate
CID 115745885
methyl 3-[(3-bromo-5-fluorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 79674030
2-[[ethyl(2-methoxyethyl)amino]methyl]-4-fluorobenzoic acid
CID 107907739
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
methyl 3-[(4,6-dichloro-3-pyridinyl)methyl-(2-methoxyethyl)amino]propanoate
CID 116519887
methyl 3-[(2,5-difluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 78958878

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate (CID 115970502) is methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)Cc1cc(F)ccc1C.
What is the InChIKey of methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
The InChIKey is MUMDQRMSZMYFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-12-4-5-14(16)10-13(12)11-17(8-9-19-2)7-6-15(18)20-3/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate?
methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate has a molecular weight of 283.34 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-fluoro-2-methylphenyl)methyl-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115970502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).