1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine

C13H18FN — CID 105460909

IUPAC1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1cc(F)c(CCC2(N)CC2)cc1C
InChIInChI=1S/C13H18FN/c1-9-7-11(12(14)8-10(9)2)3-4-13(15)5-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyYHZFLNXJVHPCKH-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.87
Rot. Bonds3

About 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine

1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105460909) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105460909
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1cc(F)c(CCC2(N)CC2)cc1C
InChIInChI=1S/C13H18FN/c1-9-7-11(12(14)8-10(9)2)3-4-13(15)5-6-13/h7-8H,3-6,15H2,1-2H3
InChIKeyYHZFLNXJVHPCKH-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
5-[(1-aminocyclopropyl)methyl]-4-fluoro-2-methylphenol
CID 117285265
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine (CID 105460909) is 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine is Cc1cc(F)c(CCC2(N)CC2)cc1C.
What is the InChIKey of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is YHZFLNXJVHPCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9-7-11(12(14)8-10(9)2)3-4-13(15)5-6-13/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105460909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).