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

C15H22FNO — CID 117382009

IUPAC1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(F)cc(C(C)C)cc1C1(C(C)N)CC1
InChIInChI=1S/C15H22FNO/c1-9(2)11-7-12(14(18-4)13(16)8-11)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3
InChIKeyNWUMPBSPJUGVCF-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.34
Rot. Bonds4

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

1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine (PubChem CID 117382009) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
PubChem CID117382009
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
SMILESCOc1c(F)cc(C(C)C)cc1C1(C(C)N)CC1
InChIInChI=1S/C15H22FNO/c1-9(2)11-7-12(14(18-4)13(16)8-11)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3
InChIKeyNWUMPBSPJUGVCF-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-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]cyclopropyl]ethanamine
CID 117355040
1-[1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117386287
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
1-[1-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117422055
1-[1-(2-bromo-3-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117497496
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
5-[1-(1-aminoethyl)cyclopropyl]-3-fluoro-2-methoxyphenol
CID 117323547
1-[1-(5-fluoro-3-methoxy-2-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117382007
1-[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117361282
1-[1-(5-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117465007
1-[1-(3-bromo-2,5-dimethoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117499657

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine (CID 117382009) is 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine is COc1c(F)cc(C(C)C)cc1C1(C(C)N)CC1.
What is the InChIKey of 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
The InChIKey is NWUMPBSPJUGVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-9(2)11-7-12(14(18-4)13(16)8-11)15(5-6-15)10(3)17/h7-10H,5-6,17H2,1-4H3.
What are the key properties of 1-[1-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine?
1-[1-(3-fluoro-2-methoxy-5-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-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117382009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).