1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine

C12H18FN — CID 84773717

IUPAC1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
SMILESCc1ccc(C)c(CC(C)(C)N)c1F
InChIInChI=1S/C12H18FN/c1-8-5-6-9(2)11(13)10(8)7-12(3,4)14/h5-6H,7,14H2,1-4H3
InChIKeyPLVHQRAEDMPKLR-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.72
Rot. Bonds2

About 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine

1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine (PubChem CID 84773717) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
PubChem CID84773717
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine
SMILESCc1ccc(C)c(CC(C)(C)N)c1F
InChIInChI=1S/C12H18FN/c1-8-5-6-9(2)11(13)10(8)7-12(3,4)14/h5-6H,7,14H2,1-4H3
InChIKeyPLVHQRAEDMPKLR-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluoro-6-methylphenyl)-2-methylpropan-2-amine
CID 117307503
1-(3-fluoro-4-methylphenyl)-2-methylpropan-2-amine
CID 23109614
2-fluoro-3-(iodomethyl)-1,4-dimethylbenzene
CID 66612978
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
(2R)-2-amino-2-(2,6-difluoro-3-methylphenyl)propan-1-ol
CID 130691213
1-(3-chloro-2-fluoro-6-methoxy-5-methylphenyl)-2-methylpropan-2-amine
CID 117366838
2-(2-amino-2-methylpropyl)-3-methoxy-6-methylphenol
CID 117299270
1-(2,3-difluoro-4-methylsulfanylphenyl)-2-methylpropan-2-amine
CID 117334738
1-amino-2-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 82819317
1-(3-bromo-2,4,6-trifluorophenyl)-2-methylpropan-2-amine
CID 117452947
2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene
CID 58149351
5-(2-amino-2-methylpropyl)-2-chloro-6-fluoro-3-methylphenol
CID 117335588

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine (CID 84773717) is 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine is Cc1ccc(C)c(CC(C)(C)N)c1F.
What is the InChIKey of 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine?
The InChIKey is PLVHQRAEDMPKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-8-5-6-9(2)11(13)10(8)7-12(3,4)14/h5-6H,7,14H2,1-4H3.
What are the key properties of 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine?
1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3,6-dimethylphenyl)-2-methylpropan-2-amine is sourced from PubChem (CID 84773717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).