[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine

C11H13ClFN — CID 117304722

IUPAC[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
SMILESCc1ccc(Cl)c(C2(CN)CC2)c1F
InChIInChI=1S/C11H13ClFN/c1-7-2-3-8(12)9(10(7)13)11(6-14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyJPYXMTFYSIICRC-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.78
Rot. Bonds2

About [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine

[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine (PubChem CID 117304722) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
PubChem CID117304722
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
SMILESCc1ccc(Cl)c(C2(CN)CC2)c1F
InChIInChI=1S/C11H13ClFN/c1-7-2-3-8(12)9(10(7)13)11(6-14)4-5-11/h2-3H,4-6,14H2,1H3
InChIKeyJPYXMTFYSIICRC-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
3-[1-(aminomethyl)cyclopropyl]-4-chloro-2-fluorophenol
CID 84784370
2-[1-(aminomethyl)cyclopropyl]-6-chloro-3-fluoro-4-methylphenol
CID 84793301
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
CID 117382961
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755
[1-(2-chloro-3-fluoro-6-methylphenyl)cyclobutyl]methanamine
CID 117327869
[1-(6-bromo-3-chloro-2-fluorophenyl)cyclopropyl]methanamine
CID 117446810
1-(6-chloro-2-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117356604
[1-(2-fluoro-6-methoxy-3-methylphenyl)cyclohexyl]methanamine
CID 117382107
[1-(2-chloro-3-fluoro-4-methylphenyl)cyclopentyl]methanamine
CID 117356566
[1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84813724
6-[1-(aminomethyl)cyclopropyl]-2-fluoro-3-methylphenol
CID 117285305

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine (CID 117304722) is [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine is Cc1ccc(Cl)c(C2(CN)CC2)c1F.
What is the InChIKey of [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine?
The InChIKey is JPYXMTFYSIICRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-7-2-3-8(12)9(10(7)13)11(6-14)4-5-11/h2-3H,4-6,14H2,1H3.
What are the key properties of [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine?
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine has a molecular weight of 213.68 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117304722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).