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

C11H12ClF2NO — CID 117372344

IUPAC[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(F)c(Cl)cc(C2(CN)CC2)c1F
InChIInChI=1S/C11H12ClF2NO/c1-16-10-8(13)6(4-7(12)9(10)14)11(5-15)2-3-11/h4H,2-3,5,15H2,1H3
InChIKeyIHZUARDKPCZQDV-UHFFFAOYSA-N
MW247.67 g/mol
LogP2.62
Rot. Bonds3

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

[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 117372344) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
PubChem CID117372344
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(F)c(Cl)cc(C2(CN)CC2)c1F
InChIInChI=1S/C11H12ClF2NO/c1-16-10-8(13)6(4-7(12)9(10)14)11(5-15)2-3-11/h4H,2-3,5,15H2,1H3
InChIKeyIHZUARDKPCZQDV-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117441379
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]cyclopropyl]methanamine
CID 117361412
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
[1-(5-chloro-3-fluoro-2,4-dimethylphenyl)cyclopropyl]methanamine
CID 84791909
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634
[1-[5-chloro-2,3-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117468012
3-[1-(aminomethyl)cyclopropyl]-6-chloro-2-methoxyphenol
CID 117327619
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
[1-(5-chloro-3-methoxy-2,4-dimethylphenyl)cyclohexyl]methanamine
CID 117452765
[1-(4-chloro-2-methoxy-3,5-dimethylphenyl)cyclopropyl]methanamine
CID 117352237
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
CID 117331513

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine (CID 117372344) is [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine is COc1c(F)c(Cl)cc(C2(CN)CC2)c1F.
What is the InChIKey of [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is IHZUARDKPCZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c1-16-10-8(13)6(4-7(12)9(10)14)11(5-15)2-3-11/h4H,2-3,5,15H2,1H3.
What are the key properties of [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine?
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 247.67 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117372344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).