1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine

C15H22FNO — CID 117382007

IUPAC1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)cc(C2(C(C)N)CC2)c1C(C)C
InChIInChI=1S/C15H22FNO/c1-9(2)14-12(15(5-6-15)10(3)17)7-11(16)8-13(14)18-4/h7-10H,5-6,17H2,1-4H3
InChIKeyQXBFBYGUWLFOAF-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.34
Rot. Bonds4

About 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine

1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine (PubChem CID 117382007) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
PubChem CID117382007
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)cc(C2(C(C)N)CC2)c1C(C)C
InChIInChI=1S/C15H22FNO/c1-9(2)14-12(15(5-6-15)10(3)17)7-11(16)8-13(14)18-4/h7-10H,5-6,17H2,1-4H3
InChIKeyQXBFBYGUWLFOAF-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)ethanamine
CID 84678560
1-[1-(2,4-dimethoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117413676
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117324016
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117459525
1-[1-(2-methoxy-5-methylsulfanylphenyl)cyclopropyl]ethanamine
CID 117347796

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine (CID 117382007) is 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine is COc1cc(F)cc(C2(C(C)N)CC2)c1C(C)C.
What is the InChIKey of 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is QXBFBYGUWLFOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-9(2)14-12(15(5-6-15)10(3)17)7-11(16)8-13(14)18-4/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine?
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117382007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).