N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine

C14H20FN — CID 61342806

IUPACN-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCC2CCCC2)cc1
InChIInChI=1S/C14H20FN/c15-14-7-5-12(6-8-14)9-10-16-11-13-3-1-2-4-13/h5-8,13,16H,1-4,9-11H2
InChIKeyVUCIUCLOTTTWHO-UHFFFAOYSA-N
MW221.32 g/mol
LogP3.15
Rot. Bonds5

About N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine

N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine (PubChem CID 61342806) has the molecular formula C14H20FN and a molecular weight of 221.32 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
PubChem CID61342806
Molecular FormulaC14H20FN
Molecular Weight221.32 g/mol
Exact Mass221.16
IUPAC NameN-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
SMILESFc1ccc(CCNCC2CCCC2)cc1
InChIInChI=1S/C14H20FN/c15-14-7-5-12(6-8-14)9-10-16-11-13-3-1-2-4-13/h5-8,13,16H,1-4,9-11H2
InChIKeyVUCIUCLOTTTWHO-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 53.15
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

2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
2-(4-fluorophenyl)-N-[(1-methylpiperidin-3-yl)methyl]ethanamine
CID 62656306
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632818
2-(4-fluorophenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131138
tert-butyl 3-[[2-(4-fluorophenyl)ethylamino]methyl]piperidine-1-carboxylate
CID 113239051
[2-(4-fluorophenyl)ethylamino]methanol
CID 69360802
2-[2-(cyclopentylmethylamino)ethyl]phenol
CID 115905206
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
N-(cyclohexylmethyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62554245
2-[[2-(4-fluorophenyl)ethylamino]methyl]cyclopropane-1-carboxylic acid
CID 115221637
2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555516
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine (CID 61342806) is N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine is Fc1ccc(CCNCC2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is VUCIUCLOTTTWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN/c15-14-7-5-12(6-8-14)9-10-16-11-13-3-1-2-4-13/h5-8,13,16H,1-4,9-11H2.
What are the key properties of N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine?
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 221.32 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 61342806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).