1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine

C11H14FN — CID 84767931

IUPAC1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(C)c(C2(N)CC2)c(F)c1
InChIInChI=1S/C11H14FN/c1-7-5-8(2)10(9(12)6-7)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3
InChIKeyFZBYHWCORVQPRL-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.39
Rot. Bonds1

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

1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84767931) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
PubChem CID84767931
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(C)c(C2(N)CC2)c(F)c1
InChIInChI=1S/C11H14FN/c1-7-5-8(2)10(9(12)6-7)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3
InChIKeyFZBYHWCORVQPRL-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-3-methylcyclohexan-1-amine
CID 106880613
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
CID 84772869
4-(2,4,6-trimethylphenyl)oxan-4-amine
CID 82285946
3-(2-fluoro-4,6-dimethylphenyl)thiolan-3-ol
CID 106880466
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 106880612
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
CID 84783126
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927
2-ethyl-2-(2-fluoro-4,6-dimethylphenyl)pyrrolidine
CID 106881701
1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84780719
3-(2-fluoro-4,6-dimethylphenyl)-2-methyloxolan-3-ol
CID 106880528
8-(2-fluoro-4,6-dimethylphenyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 106880624

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine (CID 84767931) is 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine is Cc1cc(C)c(C2(N)CC2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is FZBYHWCORVQPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-7-5-8(2)10(9(12)6-7)11(13)3-4-11/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine?
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84767931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).