N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine

C20H24FNO — CID 39454348

IUPACN-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H24FNO/c21-20-11-4-1-7-17(20)12-13-22-15-16-6-5-10-19(14-16)23-18-8-2-3-9-18/h1,4-7,10-11,14,18,22H,2-3,8-9,12-13,15H2
InChIKeyNXAGJZNEKCBFRK-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.48
Rot. Bonds7

About N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine

N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine (PubChem CID 39454348) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
PubChem CID39454348
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC NameN-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine
SMILESFc1ccccc1CCNCc1cccc(OC2CCCC2)c1
InChIInChI=1S/C20H24FNO/c21-20-11-4-1-7-17(20)12-13-22-15-16-6-5-10-19(14-16)23-18-8-2-3-9-18/h1,4-7,10-11,14,18,22H,2-3,8-9,12-13,15H2
InChIKeyNXAGJZNEKCBFRK-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine (CID 39454348) is N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine is Fc1ccccc1CCNCc1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
The InChIKey is NXAGJZNEKCBFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c21-20-11-4-1-7-17(20)12-13-22-15-16-6-5-10-19(14-16)23-18-8-2-3-9-18/h1,4-7,10-11,14,18,22H,2-3,8-9,12-13,15H2.
What are the key properties of N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine?
N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine has a molecular weight of 313.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyloxyphenyl)methyl]-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 39454348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).