1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine

C11H13ClFNO2 — CID 84802916

IUPAC1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(F)cc(C2(N)CC2)c(OC)c1Cl
InChIInChI=1S/C11H13ClFNO2/c1-15-9-6(11(14)3-4-11)5-7(13)10(16-2)8(9)12/h5H,3-4,14H2,1-2H3
InChIKeyBZRGAOBUXJPFLC-UHFFFAOYSA-N
MW245.68 g/mol
LogP2.44
Rot. Bonds3

About 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine

1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 84802916) has the molecular formula C11H13ClFNO2 and a molecular weight of 245.68 g/mol. Its IUPAC name is 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID84802916
Molecular FormulaC11H13ClFNO2
Molecular Weight245.68 g/mol
Exact Mass245.06
IUPAC Name1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(F)cc(C2(N)CC2)c(OC)c1Cl
InChIInChI=1S/C11H13ClFNO2/c1-15-9-6(11(14)3-4-11)5-7(13)10(16-2)8(9)12/h5H,3-4,14H2,1-2H3
InChIKeyBZRGAOBUXJPFLC-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
1-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117437091
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
1-(7-chloro-6-methoxy-2,3-dihydro-1H-inden-5-yl)cyclohexan-1-amine
CID 117449191
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-(5-chloro-2-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117324614

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine (CID 84802916) is 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine is COc1c(F)cc(C2(N)CC2)c(OC)c1Cl.
What is the InChIKey of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is BZRGAOBUXJPFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO2/c1-15-9-6(11(14)3-4-11)5-7(13)10(16-2)8(9)12/h5H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine?
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 245.68 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84802916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).