2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine

C12H18FN — CID 83698847

IUPAC2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1ccc(C)cc1F
InChIInChI=1S/C12H18FN/c1-9-5-6-10(11(13)7-9)12(2,3)8-14-4/h5-7,14H,8H2,1-4H3
InChIKeyLDSRYROAGNNJFC-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.63
Rot. Bonds3

About 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine

2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine (PubChem CID 83698847) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
PubChem CID83698847
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCNCC(C)(C)c1ccc(C)cc1F
InChIInChI=1S/C12H18FN/c1-9-5-6-10(11(13)7-9)12(2,3)8-14-4/h5-7,14H,8H2,1-4H3
InChIKeyLDSRYROAGNNJFC-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 83698360
2-N-[2-(2,5-dimethylphenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133058
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
ethane;2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 144773818
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
2-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64854500
2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
CID 105425208
N'-[2-(2,5-dimethylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227446
3-(4-chloro-2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 81023609
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
1-N,2-dimethyl-2-N-[2-methyl-2-(2-methylphenyl)propyl]propane-1,2-diamine
CID 115133071

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine (CID 83698847) is 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine is CNCC(C)(C)c1ccc(C)cc1F.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is LDSRYROAGNNJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9-5-6-10(11(13)7-9)12(2,3)8-14-4/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine?
2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 83698847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).