1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine

C12H15F2NO — CID 105484561

IUPAC1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(F)c(F)c(CCC2(N)CC2)c1
InChIInChI=1S/C12H15F2NO/c1-16-9-6-8(11(14)10(13)7-9)2-3-12(15)4-5-12/h6-7H,2-5,15H2,1H3
InChIKeyWMBJRHWPEQFXKL-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.40
Rot. Bonds4

About 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine

1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105484561) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
PubChem CID105484561
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
SMILESCOc1cc(F)c(F)c(CCC2(N)CC2)c1
InChIInChI=1S/C12H15F2NO/c1-16-9-6-8(11(14)10(13)7-9)2-3-12(15)4-5-12/h6-7H,2-5,15H2,1H3
InChIKeyWMBJRHWPEQFXKL-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
1-[3-(2-fluoro-4-methoxyphenyl)propyl]cyclopropan-1-amine
CID 83910871
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
2-[2-(1-aminocyclopropyl)ethyl]-4,5-dimethoxyphenol
CID 105499062
1-[2-(4-fluoro-2-methoxy-3-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480780
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[2-(2-ethyl-5-fluoro-3-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105499389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine (CID 105484561) is 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine is COc1cc(F)c(F)c(CCC2(N)CC2)c1.
What is the InChIKey of 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is WMBJRHWPEQFXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-16-9-6-8(11(14)10(13)7-9)2-3-12(15)4-5-12/h6-7H,2-5,15H2,1H3.
What are the key properties of 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine?
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 227.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105484561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).