1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine

C12H18FN — CID 83698852

IUPAC1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1cc(F)ccc1C
InChIInChI=1S/C12H18FN/c1-9-5-6-11(13)7-10(9)8-12(2,3)14-4/h5-7,14H,8H2,1-4H3
InChIKeyFGHROTWACAFYFB-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.67
Rot. Bonds3

About 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine

1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine (PubChem CID 83698852) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
PubChem CID83698852
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine
SMILESCNC(C)(C)Cc1cc(F)ccc1C
InChIInChI=1S/C12H18FN/c1-9-5-6-11(13)7-10(9)8-12(2,3)14-4/h5-7,14H,8H2,1-4H3
InChIKeyFGHROTWACAFYFB-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-fluoro-2-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 105376290
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
3-(5-fluoro-2-methylphenyl)-2-hydroxy-2-methylpropanal
CID 105372913
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
1-(5-fluoro-2-methylphenyl)-2-methyl-3-(propylamino)propan-2-ol
CID 105375922
2-[(5-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-ol
CID 105375980
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbut-3-en-1-amine
CID 102641413
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
3-(5-fluoro-2-methylphenyl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 105372912

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine (CID 83698852) is 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine is CNC(C)(C)Cc1cc(F)ccc1C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine?
The InChIKey is FGHROTWACAFYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-5-6-11(13)7-10(9)8-12(2,3)14-4/h5-7,14H,8H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine?
1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 83698852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).