[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine

C11H13ClFNO — CID 117331513

IUPAC[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1ccc(C2(CN)CC2)c(F)c1Cl
InChIInChI=1S/C11H13ClFNO/c1-15-8-3-2-7(10(13)9(8)12)11(6-14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyAJFSFTXBXVXSAL-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.48
Rot. Bonds3

About [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine

[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine (PubChem CID 117331513) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
PubChem CID117331513
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine
SMILESCOc1ccc(C2(CN)CC2)c(F)c1Cl
InChIInChI=1S/C11H13ClFNO/c1-15-8-3-2-7(10(13)9(8)12)11(6-14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyAJFSFTXBXVXSAL-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117432370
[1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)cyclopentyl]methanamine
CID 117426956
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
[1-(2-fluoro-3,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117386175
[1-(5-chloro-2,4-difluoro-3-methoxyphenyl)cyclopropyl]methanamine
CID 117372344
[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopentyl]methanamine
CID 117441409
2-(3-chloro-2-fluoro-4-methoxyphenyl)-2-methylpyrrolidine
CID 117361392
[1-(2,3,4-trifluorophenyl)cyclopropyl]methanamine
CID 75366182
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(2-fluoro-3,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117422005

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine (CID 117331513) is [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine is COc1ccc(C2(CN)CC2)c(F)c1Cl.
What is the InChIKey of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine?
The InChIKey is AJFSFTXBXVXSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c1-15-8-3-2-7(10(13)9(8)12)11(6-14)4-5-11/h2-3H,4-6,14H2,1H3.
What are the key properties of [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine?
[1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine has a molecular weight of 229.68 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluoro-4-methoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117331513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).