3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine

C13H20FN — CID 134316625

IUPAC3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine
SMILESCCc1ccc(C(C)C(CF)NC)cc1
InChIInChI=1S/C13H20FN/c1-4-11-5-7-12(8-6-11)10(2)13(9-14)15-3/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyKGOHXPNNZAUJOJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine

3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine (PubChem CID 134316625) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine
PubChem CID134316625
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine
SMILESCCc1ccc(C(C)C(CF)NC)cc1
InChIInChI=1S/C13H20FN/c1-4-11-5-7-12(8-6-11)10(2)13(9-14)15-3/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyKGOHXPNNZAUJOJ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43484643
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
3-(4-ethylphenyl)butan-2-amine
CID 66439374
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-fluoro-N-methyl-3-[4-[(E)-1-methylsulfanylprop-1-en-2-yl]phenyl]butan-2-amine;3-methylbut-1-ene
CID 142806657
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine?
The IUPAC name of 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine (CID 134316625) is 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine.
What is the SMILES notation for 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine?
The canonical SMILES for 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine is CCc1ccc(C(C)C(CF)NC)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine?
The InChIKey is KGOHXPNNZAUJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-11-5-7-12(8-6-11)10(2)13(9-14)15-3/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine?
3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine has a molecular weight of 209.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine is sourced from PubChem (CID 134316625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).