1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine

C13H17F2NO — CID 117355034

IUPAC1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1cc(F)c(F)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C13H17F2NO/c1-8(16)13(3-4-13)10-5-9(7-17-2)6-11(14)12(10)15/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyKLUWTVKGVDRFGT-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.49
Rot. Bonds4

About 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine

1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117355034) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117355034
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
SMILESCOCc1cc(F)c(F)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C13H17F2NO/c1-8(16)13(3-4-13)10-5-9(7-17-2)6-11(14)12(10)15/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyKLUWTVKGVDRFGT-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117386287
1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117301565
1-[1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]cyclopropyl]ethanamine
CID 117355040
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-[3-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117293808
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
CID 117361412
1-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117486610
1-[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117343261

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine (CID 117355034) is 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine is COCc1cc(F)c(F)c(C2(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is KLUWTVKGVDRFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-8(16)13(3-4-13)10-5-9(7-17-2)6-11(14)12(10)15/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 241.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117355034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).