[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine

C11H12F3NO — CID 84794179

IUPAC[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)cc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO/c1-16-10-6(11(5-15)2-3-11)4-7(12)8(13)9(10)14/h4H,2-3,5,15H2,1H3
InChIKeyUGBUJBPRIUYACZ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.10
Rot. Bonds3

About [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine

[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 84794179) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
PubChem CID84794179
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(C2(CN)CC2)cc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO/c1-16-10-6(11(5-15)2-3-11)4-7(12)8(13)9(10)14/h4H,2-3,5,15H2,1H3
InChIKeyUGBUJBPRIUYACZ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclohexyl]methanamine
CID 117459551
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
[1-(3-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320250
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxy-6-methylphenol
CID 117350816
[1-[5-(fluoromethyl)-2,3-dimethoxyphenyl]cyclopropyl]methanamine
CID 117351120

Frequently Asked Questions

What is the IUPAC name of [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine (CID 84794179) is [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine is COc1c(C2(CN)CC2)cc(F)c(F)c1F.
What is the InChIKey of [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is UGBUJBPRIUYACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-6(11(5-15)2-3-11)4-7(12)8(13)9(10)14/h4H,2-3,5,15H2,1H3.
What are the key properties of [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine?
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 231.22 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 84794179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).