ethane;N-ethyl-2-(2-fluorophenyl)ethanamine

C12H20FN — CID 155737119

IUPACethane;N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCC.CCNCCc1ccccc1F
InChIInChI=1S/C10H14FN.C2H6/c1-2-12-8-7-9-5-3-4-6-10(9)11;1-2/h3-6,12H,2,7-8H2,1H3;1-2H3
InChIKeyJKADZMVQLMAFSZ-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.00
Rot. Bonds4

About ethane;N-ethyl-2-(2-fluorophenyl)ethanamine

ethane;N-ethyl-2-(2-fluorophenyl)ethanamine (PubChem CID 155737119) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is ethane;N-ethyl-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Nameethane;N-ethyl-2-(2-fluorophenyl)ethanamine
PubChem CID155737119
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Nameethane;N-ethyl-2-(2-fluorophenyl)ethanamine
SMILESCC.CCNCCc1ccccc1F
InChIInChI=1S/C10H14FN.C2H6/c1-2-12-8-7-9-5-3-4-6-10(9)11;1-2/h3-6,12H,2,7-8H2,1H3;1-2H3
InChIKeyJKADZMVQLMAFSZ-UHFFFAOYSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
CID 155737133
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
N-[2-(2-fluorophenyl)ethyl]-2-methylidenebutan-1-amine
CID 66047104
N-ethyl-2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62162910
2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 82491545
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
2-[2-(ethylamino)ethyl]phenol;hydrochloride
CID 68825944
N-[2-(2-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28614584
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-(2-fluorophenyl)ethanamine?
The IUPAC name of ethane;N-ethyl-2-(2-fluorophenyl)ethanamine (CID 155737119) is ethane;N-ethyl-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for ethane;N-ethyl-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for ethane;N-ethyl-2-(2-fluorophenyl)ethanamine is CC.CCNCCc1ccccc1F.
What is the InChIKey of ethane;N-ethyl-2-(2-fluorophenyl)ethanamine?
The InChIKey is JKADZMVQLMAFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN.C2H6/c1-2-12-8-7-9-5-3-4-6-10(9)11;1-2/h3-6,12H,2,7-8H2,1H3;1-2H3.
What are the key properties of ethane;N-ethyl-2-(2-fluorophenyl)ethanamine?
ethane;N-ethyl-2-(2-fluorophenyl)ethanamine has a molecular weight of 197.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 155737119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).