1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine

C14H20FNO2 — CID 117386287

IUPAC1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1cc(F)c(OC)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C14H20FNO2/c1-9(16)14(4-5-14)11-6-10(8-17-2)7-12(15)13(11)18-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyLYLVXJSODPOELG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.36
Rot. Bonds5

About 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine

1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117386287) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117386287
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1cc(F)c(OC)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C14H20FNO2/c1-9(16)14(4-5-14)11-6-10(8-17-2)7-12(15)13(11)18-3/h6-7,9H,4-5,8,16H2,1-3H3
InChIKeyLYLVXJSODPOELG-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]cyclopropyl]ethanamine
CID 117355040
1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117355034
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
1-[1-(3-tert-butyl-5-ethyl-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117441175
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine (CID 117386287) is 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine is COCc1cc(F)c(OC)c(C2(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is LYLVXJSODPOELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(16)14(4-5-14)11-6-10(8-17-2)7-12(15)13(11)18-3/h6-7,9H,4-5,8,16H2,1-3H3.
What are the key properties of 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 253.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117386287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).