1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine

C12H15ClFNO — CID 117361282

IUPAC1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)c(Cl)cc1C1(C(C)N)CC1
InChIInChI=1S/C12H15ClFNO/c1-7(15)12(3-4-12)8-5-9(13)10(14)6-11(8)16-2/h5-7H,3-4,15H2,1-2H3
InChIKeyNXCBUMKYFGOUJV-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.87
Rot. Bonds3

About 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine

1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117361282) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID117361282
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)c(Cl)cc1C1(C(C)N)CC1
InChIInChI=1S/C12H15ClFNO/c1-7(15)12(3-4-12)8-5-9(13)10(14)6-11(8)16-2/h5-7H,3-4,15H2,1-2H3
InChIKeyNXCBUMKYFGOUJV-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
1-[1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)cyclopropyl]ethanamine
CID 117456418
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(2-chloro-6-methoxyphenyl)cyclopropyl]ethanamine
CID 117324448
4-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-6-methoxyphenol
CID 117323546

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine (CID 117361282) is 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine is COc1cc(F)c(Cl)cc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is NXCBUMKYFGOUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7(15)12(3-4-12)8-5-9(13)10(14)6-11(8)16-2/h5-7H,3-4,15H2,1-2H3.
What are the key properties of 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine?
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 243.71 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117361282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).