1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine

C10H11ClFNO — CID 84784320

IUPAC1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(F)c1Cl
InChIInChI=1S/C10H11ClFNO/c1-14-8-5-6(10(13)2-3-10)4-7(12)9(8)11/h4-5H,2-3,13H2,1H3
InChIKeyNSVVMHXSDXSTAF-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine

1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine (PubChem CID 84784320) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
PubChem CID84784320
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC Name1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(C2(N)CC2)cc(F)c1Cl
InChIInChI=1S/C10H11ClFNO/c1-14-8-5-6(10(13)2-3-10)4-7(12)9(8)11/h4-5H,2-3,13H2,1H3
InChIKeyNSVVMHXSDXSTAF-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
CID 84789141
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363594
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
2-(4-chloro-3-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117361396
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117320267
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
1-(4-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117320334
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine (CID 84784320) is 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine is COc1cc(C2(N)CC2)cc(F)c1Cl.
What is the InChIKey of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is NSVVMHXSDXSTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c1-14-8-5-6(10(13)2-3-10)4-7(12)9(8)11/h4-5H,2-3,13H2,1H3.
What are the key properties of 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 215.66 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84784320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).