methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate

C14H20FNO3 — CID 115282443

IUPACmethyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
SMILESCCC(NC(C)c1cc(F)ccc1OC)C(=O)OC
InChIInChI=1S/C14H20FNO3/c1-5-12(14(17)19-4)16-9(2)11-8-10(15)6-7-13(11)18-3/h6-9,12,16H,5H2,1-4H3
InChIKeyBWCNCHLVZSQDNP-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.44
Rot. Bonds6

About methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate

methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate (PubChem CID 115282443) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
PubChem CID115282443
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
SMILESCCC(NC(C)c1cc(F)ccc1OC)C(=O)OC
InChIInChI=1S/C14H20FNO3/c1-5-12(14(17)19-4)16-9(2)11-8-10(15)6-7-13(11)18-3/h6-9,12,16H,5H2,1-4H3
InChIKeyBWCNCHLVZSQDNP-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796
(2R)-2-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599176
(2R)-2-[[(1S)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]-2-phenylacetamide
CID 94599175
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
methyl 2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]butanoate
CID 113292653
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 43728698

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate?
The IUPAC name of methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate (CID 115282443) is methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate?
The canonical SMILES for methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate is CCC(NC(C)c1cc(F)ccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate?
The InChIKey is BWCNCHLVZSQDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-5-12(14(17)19-4)16-9(2)11-8-10(15)6-7-13(11)18-3/h6-9,12,16H,5H2,1-4H3.
What are the key properties of methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate?
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate has a molecular weight of 269.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate is sourced from PubChem (CID 115282443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).