N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine

C13H20FN — CID 83820705

IUPACN-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1ccccc1C(CF)NCC(C)C
InChIInChI=1S/C13H20FN/c1-10(2)9-15-13(8-14)12-7-5-4-6-11(12)3/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyIYABJNBWOQKESQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.25
Rot. Bonds5

About N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine

N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine (PubChem CID 83820705) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine
PubChem CID83820705
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine
SMILESCc1ccccc1C(CF)NCC(C)C
InChIInChI=1S/C13H20FN/c1-10(2)9-15-13(8-14)12-7-5-4-6-11(12)3/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyIYABJNBWOQKESQ-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102904031
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
1-(2-fluorophenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383918
2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
CID 167919622
N-[2-methoxy-2-(2-methylphenyl)ethyl]propan-2-amine
CID 62108356
1-(2-methylphenyl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 115710760
3-methyl-N-[(1S)-1-(2-methylphenyl)ethyl]but-2-en-1-amine
CID 107900155
2-(2-chlorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054751
(1R)-1-(2-methylphenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81353811
2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
CID 60647997
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
2,6-dimethyl-N-[(1R)-1-(2-methylphenyl)ethyl]heptan-4-amine
CID 28511998

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine (CID 83820705) is N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine is Cc1ccccc1C(CF)NCC(C)C.
What is the InChIKey of N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine?
The InChIKey is IYABJNBWOQKESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-10(2)9-15-13(8-14)12-7-5-4-6-11(12)3/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine?
N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83820705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).