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

C14H22FN — CID 60664124

IUPAC2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
SMILESCCC(CC)CNC(C)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-12(5-2)10-16-11(3)13-8-6-7-9-14(13)15/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyKTRWMJQWTGKDDF-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.91
Rot. Bonds6

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

2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine (PubChem CID 60664124) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
PubChem CID60664124
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine
SMILESCCC(CC)CNC(C)c1ccccc1F
InChIInChI=1S/C14H22FN/c1-4-12(5-2)10-16-11(3)13-8-6-7-9-14(13)15/h6-9,11-12,16H,4-5,10H2,1-3H3
InChIKeyKTRWMJQWTGKDDF-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
N-[1-(2-bromophenyl)ethyl]-2-ethylbutan-1-amine
CID 43223398
N-[1-(2-fluorophenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 115760889
N-[(1R)-1-(2-fluorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81379781
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
N'-[1-(2-fluorophenyl)ethyl]-N,N-dimethyl-1-phenylethane-1,2-diamine
CID 43201789
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
1-(2-chlorophenyl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanol
CID 81380433
1-(dimethylamino)-3-[1-(2-fluorophenyl)ethylamino]propan-2-ol
CID 54964766

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine (CID 60664124) is 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine is CCC(CC)CNC(C)c1ccccc1F.
What is the InChIKey of 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine?
The InChIKey is KTRWMJQWTGKDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-4-12(5-2)10-16-11(3)13-8-6-7-9-14(13)15/h6-9,11-12,16H,4-5,10H2,1-3H3.
What are the key properties of 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine?
2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(2-fluorophenyl)ethyl]butan-1-amine is sourced from PubChem (CID 60664124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).