N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine

C13H20FN — CID 43824428

IUPACN-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1ccccc1F
InChIInChI=1S/C13H20FN/c1-5-13(3,4)15-10(2)11-8-6-7-9-12(11)14/h6-10,15H,5H2,1-4H3
InChIKeyNZDCUBKPYZSGEO-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.66
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine

N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine (PubChem CID 43824428) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine
PubChem CID43824428
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NC(C)c1ccccc1F
InChIInChI=1S/C13H20FN/c1-5-13(3,4)15-10(2)11-8-6-7-9-12(11)14/h6-10,15H,5H2,1-4H3
InChIKeyNZDCUBKPYZSGEO-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114998260
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62984584
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
CID 60664124
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine (CID 43824428) is N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine is CCC(C)(C)NC(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine?
The InChIKey is NZDCUBKPYZSGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-5-13(3,4)15-10(2)11-8-6-7-9-12(11)14/h6-10,15H,5H2,1-4H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine?
N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2-methylbutan-2-amine is sourced from PubChem (CID 43824428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).