[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine

C12H16FN — CID 84772874

IUPAC[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1cc(F)c(C2(CN)CC2)cc1C
InChIInChI=1S/C12H16FN/c1-8-5-10(11(13)6-9(8)2)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyOYLIJPAMBMUGHL-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.43
Rot. Bonds2

About [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine

[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine (PubChem CID 84772874) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
PubChem CID84772874
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine
SMILESCc1cc(F)c(C2(CN)CC2)cc1C
InChIInChI=1S/C12H16FN/c1-8-5-10(11(13)6-9(8)2)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3
InChIKeyOYLIJPAMBMUGHL-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(aminomethyl)cyclopropyl]-5-fluoro-2-methylphenol
CID 117285302
[1-(2-fluoro-5-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382086
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298887
[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]methanamine
CID 117293731
[1-(4-fluoro-2-methoxy-5-methylphenyl)cyclobutyl]methanamine
CID 117320233
[1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentyl]methanamine
CID 84798723
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927
[1-(5-chloro-4-fluoro-2-methylphenyl)cyclopentyl]methanamine
CID 117356576
methyl 5-[1-(aminomethyl)cyclohexyl]-4-fluoro-2-methylbenzoate
CID 117448080
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
[1-(5-fluoro-2-methoxy-4-methylphenyl)cyclohexyl]methanamine
CID 117382102
[1-(2-chloro-4,5-difluorophenyl)cyclopropyl]methanamine
CID 117310225

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine (CID 84772874) is [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine is Cc1cc(F)c(C2(CN)CC2)cc1C.
What is the InChIKey of [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine?
The InChIKey is OYLIJPAMBMUGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-10(11(13)6-9(8)2)12(7-14)3-4-12/h5-6H,3-4,7,14H2,1-2H3.
What are the key properties of [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine?
[1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine has a molecular weight of 193.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4,5-dimethylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 84772874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).