1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine

C15H22FNO2 — CID 117422055

IUPAC1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cc(C(C)F)cc(C2(C(C)N)CC2)c1OC
InChIInChI=1S/C15H22FNO2/c1-9(16)11-7-12(15(5-6-15)10(2)17)14(19-4)13(8-11)18-3/h7-10H,5-6,17H2,1-4H3
InChIKeyFMBNEFWNAWVPHX-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.11
Rot. Bonds5

About 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine

1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine (PubChem CID 117422055) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
PubChem CID117422055
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
SMILESCOc1cc(C(C)F)cc(C2(C(C)N)CC2)c1OC
InChIInChI=1S/C15H22FNO2/c1-9(16)11-7-12(15(5-6-15)10(2)17)14(19-4)13(8-11)18-3/h7-10H,5-6,17H2,1-4H3
InChIKeyFMBNEFWNAWVPHX-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethoxybenzaldehyde
CID 117376478
1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382009
1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclohexane-1-carboxylic acid
CID 117495347
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328
1-(2,3-dimethoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 117342983
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617
1-[1-[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]cyclopropyl]ethanamine
CID 117381299
1-[1-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]cyclopropyl]ethanamine
CID 117355040

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine (CID 117422055) is 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine is COc1cc(C(C)F)cc(C2(C(C)N)CC2)c1OC.
What is the InChIKey of 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine?
The InChIKey is FMBNEFWNAWVPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-9(16)11-7-12(15(5-6-15)10(2)17)14(19-4)13(8-11)18-3/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine?
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine has a molecular weight of 267.34 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117422055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).