2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine

C15H22FNO — CID 66323116

IUPAC2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNCC(OCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-17-10-15(13-6-8-14(16)9-7-13)18-11-12-4-2-3-5-12/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyHBGCDWHDSACJFP-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.29
Rot. Bonds6

About 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine

2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 66323116) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID66323116
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCNCC(OCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-17-10-15(13-6-8-14(16)9-7-13)18-11-12-4-2-3-5-12/h6-9,12,15,17H,2-5,10-11H2,1H3
InChIKeyHBGCDWHDSACJFP-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine (CID 66323116) is 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine is CNCC(OCC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is HBGCDWHDSACJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-17-10-15(13-6-8-14(16)9-7-13)18-11-12-4-2-3-5-12/h6-9,12,15,17H,2-5,10-11H2,1H3.
What are the key properties of 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine?
2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 66323116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).