methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate

C21H20FNO3 — CID 141127906

IUPACmethyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cccc2cc(OCc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H20FNO3/c1-25-21(24)13-23-12-17-4-2-3-16-11-19(9-10-20(16)17)26-14-15-5-7-18(22)8-6-15/h2-11,23H,12-14H2,1H3
InChIKeyGVGUOSFCRBBOSL-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.82
Rot. Bonds7

About methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate

methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate (PubChem CID 141127906) has the molecular formula C21H20FNO3 and a molecular weight of 353.39 g/mol. Its IUPAC name is methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate
PubChem CID141127906
Molecular FormulaC21H20FNO3
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Namemethyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate
SMILESCOC(=O)CNCc1cccc2cc(OCc3ccc(F)cc3)ccc12
InChIInChI=1S/C21H20FNO3/c1-25-21(24)13-23-12-17-4-2-3-16-11-19(9-10-20(16)17)26-14-15-5-7-18(22)8-6-15/h2-11,23H,12-14H2,1H3
InChIKeyGVGUOSFCRBBOSL-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate with MolForge

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Related Compounds

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methyl 2-[2-[[(4-phenylmethoxyphenyl)methylamino]methyl]phenyl]acetate
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1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
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methyl 3-(6-phenylmethoxynaphthalen-1-yl)prop-2-enoate
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2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
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1-(4-fluorophenyl)-N-(naphthalen-1-ylmethyl)methanamine;hydrochloride
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methyl 2-[[4-(thiophen-3-ylmethoxy)phenyl]methylamino]acetate
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CID 17292639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate?
The IUPAC name of methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate (CID 141127906) is methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate.
What is the SMILES notation for methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate?
The canonical SMILES for methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate is COC(=O)CNCc1cccc2cc(OCc3ccc(F)cc3)ccc12.
What is the InChIKey of methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate?
The InChIKey is GVGUOSFCRBBOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3/c1-25-21(24)13-23-12-17-4-2-3-16-11-19(9-10-20(16)17)26-14-15-5-7-18(22)8-6-15/h2-11,23H,12-14H2,1H3.
What are the key properties of methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate?
methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate has a molecular weight of 353.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylamino]acetate is sourced from PubChem (CID 141127906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).