2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine

C13H18FNO — CID 69111657

IUPAC2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine
SMILESCOC1CC1CNCCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-16-13-8-11(13)9-15-7-6-10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyFGTWSWPPEWJYGU-UHFFFAOYSA-N
MW223.29 g/mol
LogP1.99
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine

2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine (PubChem CID 69111657) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine
PubChem CID69111657
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine
SMILESCOC1CC1CNCCc1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-16-13-8-11(13)9-15-7-6-10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKeyFGTWSWPPEWJYGU-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.99
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 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine (CID 69111657) is 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine is COC1CC1CNCCc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine?
The InChIKey is FGTWSWPPEWJYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-8-11(13)9-15-7-6-10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine?
2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine has a molecular weight of 223.29 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(2-methoxycyclopropyl)methyl]ethanamine is sourced from PubChem (CID 69111657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).