1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine

C12H16FN — CID 84772869

IUPAC1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(C)c(C2(N)CC2)c(C)c1F
InChIInChI=1S/C12H16FN/c1-7-6-8(2)11(13)9(3)10(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyDJYLPZWGEFOVCG-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.70
Rot. Bonds1

About 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine

1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine (PubChem CID 84772869) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
PubChem CID84772869
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(C)c(C2(N)CC2)c(C)c1F
InChIInChI=1S/C12H16FN/c1-7-6-8(2)11(13)9(3)10(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyDJYLPZWGEFOVCG-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 84777399
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
CID 84783126
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84780719
1-(3-fluoro-2,6-dimethylphenyl)cyclopentan-1-amine
CID 84779827
2-(1-aminocyclopentyl)-3,5,6-trimethylphenol
CID 117112800
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
CID 84782027
4-(1-aminocyclohexyl)-2,3,5-trimethylphenol
CID 117114620

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine (CID 84772869) is 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine is Cc1cc(C)c(C2(N)CC2)c(C)c1F.
What is the InChIKey of 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine?
The InChIKey is DJYLPZWGEFOVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-7-6-8(2)11(13)9(3)10(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3.
What are the key properties of 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine?
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine has a molecular weight of 193.26 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84772869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).