1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine

C15H20FNO2 — CID 117417328

IUPAC1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)cc(C2(C(C)N)CC2)c1OC1CC1
InChIInChI=1S/C15H20FNO2/c1-9(17)15(5-6-15)12-7-10(16)8-13(18-2)14(12)19-11-3-4-11/h7-9,11H,3-6,17H2,1-2H3
InChIKeyILCOBMGFOOMLJE-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.75
Rot. Bonds5

About 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine

1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine (PubChem CID 117417328) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
PubChem CID117417328
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
SMILESCOc1cc(F)cc(C2(C(C)N)CC2)c1OC1CC1
InChIInChI=1S/C15H20FNO2/c1-9(17)15(5-6-15)12-7-10(16)8-13(18-2)14(12)19-11-3-4-11/h7-9,11H,3-6,17H2,1-2H3
InChIKeyILCOBMGFOOMLJE-UHFFFAOYSA-N
XLogP2.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpyrrolidine
CID 117417338
1-[1-[3-methoxy-2-(thian-4-yloxy)phenyl]cyclopropyl]ethanamine
CID 117492526
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
3-[1-(1-aminoethyl)cyclopropyl]-4,5-dimethoxybenzaldehyde
CID 117376478
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-[3-methoxy-2-(thiolan-3-yloxy)phenyl]cyclopropyl]ethanamine
CID 117473681
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine (CID 117417328) is 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine is COc1cc(F)cc(C2(C(C)N)CC2)c1OC1CC1.
What is the InChIKey of 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine?
The InChIKey is ILCOBMGFOOMLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-9(17)15(5-6-15)12-7-10(16)8-13(18-2)14(12)19-11-3-4-11/h7-9,11H,3-6,17H2,1-2H3.
What are the key properties of 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine?
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine has a molecular weight of 265.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117417328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).