ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine

C13H22FN — CID 155737133

IUPACethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCC.CCCNCCc1ccccc1F
InChIInChI=1S/C11H16FN.C2H6/c1-2-8-13-9-7-10-5-3-4-6-11(10)12;1-2/h3-6,13H,2,7-9H2,1H3;1-2H3
InChIKeyBLNNWEVPWGPYNS-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.39
Rot. Bonds5

About ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine

ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 155737133) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Nameethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
PubChem CID155737133
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Nameethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine
SMILESCC.CCCNCCc1ccccc1F
InChIInChI=1S/C11H16FN.C2H6/c1-2-8-13-9-7-10-5-3-4-6-11(10)12;1-2/h3-6,13H,2,7-9H2,1H3;1-2H3
InChIKeyBLNNWEVPWGPYNS-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.39
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-ethyl-2-(2-fluorophenyl)ethanamine
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N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
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N-[2-[5-[(2-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044253
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
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N-[2-(2-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28614584
N-[2-(2-fluorophenyl)ethyl]-2-methylidenebutan-1-amine
CID 66047104
N-[2-[2-(2-fluorophenyl)ethylamino]ethyl]acetamide
CID 103604204
1-[2-(2-fluorophenyl)ethylamino]propan-2-one
CID 115235072
4-[2-(2-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248609
2-[(2-fluorophenyl)methoxy]-2-methyl-N-propylpropan-1-amine
CID 63937969
N-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethylamino]propanamide
CID 109024840

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine (CID 155737133) is ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine is CC.CCCNCCc1ccccc1F.
What is the InChIKey of ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is BLNNWEVPWGPYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN.C2H6/c1-2-8-13-9-7-10-5-3-4-6-11(10)12;1-2/h3-6,13H,2,7-9H2,1H3;1-2H3.
What are the key properties of ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine?
ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 211.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 155737133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).