N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine

C16H22FN — CID 113349094

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCC1=CCCC1
InChIInChI=1S/C16H22FN/c1-13(11-15-7-4-8-16(17)12-15)18-10-9-14-5-2-3-6-14/h4-5,7-8,12-13,18H,2-3,6,9-11H2,1H3
InChIKeyVWSJSAKUZDCYBD-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine

N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine (PubChem CID 113349094) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
PubChem CID113349094
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCC1=CCCC1
InChIInChI=1S/C16H22FN/c1-13(11-15-7-4-8-16(17)12-15)18-10-9-14-5-2-3-6-14/h4-5,7-8,12-13,18H,2-3,6,9-11H2,1H3
InChIKeyVWSJSAKUZDCYBD-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 115895883
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
CID 114829218
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
N-[2-(cyclopenten-1-yl)ethyl]pentan-2-amine
CID 103904430
(2S)-N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 93246045
N-[2-(3-fluorophenyl)ethyl]butan-2-amine
CID 43565886
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103901403
1-(3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 103901593
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine (CID 113349094) is N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine is CC(Cc1cccc(F)c1)NCCC1=CCCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is VWSJSAKUZDCYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c1-13(11-15-7-4-8-16(17)12-15)18-10-9-14-5-2-3-6-14/h4-5,7-8,12-13,18H,2-3,6,9-11H2,1H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 247.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 113349094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).