N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine

C17H24FNO — CID 66321628

IUPACN-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)OCC2CCCC2)c1
InChIInChI=1S/C17H24FNO/c18-15-7-3-6-14(10-15)17(11-19-16-8-9-16)20-12-13-4-1-2-5-13/h3,6-7,10,13,16-17,19H,1-2,4-5,8-9,11-12H2
InChIKeyJDFNNQOXZQXXEV-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine

N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine (PubChem CID 66321628) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
PubChem CID66321628
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)OCC2CCCC2)c1
InChIInChI=1S/C17H24FNO/c18-15-7-3-6-14(10-15)17(11-19-16-8-9-16)20-12-13-4-1-2-5-13/h3,6-7,10,13,16-17,19H,1-2,4-5,8-9,11-12H2
InChIKeyJDFNNQOXZQXXEV-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Methylphenmetrazine
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(2S)-2-[(2S,4S)-2-ethyl-2-(2-fluorophenyl)-1,3-dioxolan-4-yl]piperidine
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(2S)-2-[(2S,4S)-2-ethyl-2-(4-fluorophenyl)-1,3-dioxolan-4-yl]piperidine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine (CID 66321628) is N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine is Fc1cccc(C(CNC2CC2)OCC2CCCC2)c1.
What is the InChIKey of N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine?
The InChIKey is JDFNNQOXZQXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c18-15-7-3-6-14(10-15)17(11-19-16-8-9-16)20-12-13-4-1-2-5-13/h3,6-7,10,13,16-17,19H,1-2,4-5,8-9,11-12H2.
What are the key properties of N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine?
N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine has a molecular weight of 277.38 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethoxy)-2-(3-fluorophenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 66321628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).