1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine

C13H18FNO — CID 130285879

IUPAC1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine
SMILESCCOC1(c2ccc(C(C)N)c(F)c2)CC1
InChIInChI=1S/C13H18FNO/c1-3-16-13(6-7-13)10-4-5-11(9(2)15)12(14)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyKCYJVNNMMFKDMX-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine

1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine (PubChem CID 130285879) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine
PubChem CID130285879
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine
SMILESCCOC1(c2ccc(C(C)N)c(F)c2)CC1
InChIInChI=1S/C13H18FNO/c1-3-16-13(6-7-13)10-4-5-11(9(2)15)12(14)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3
InChIKeyKCYJVNNMMFKDMX-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine (CID 130285879) is 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine is CCOC1(c2ccc(C(C)N)c(F)c2)CC1.
What is the InChIKey of 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine?
The InChIKey is KCYJVNNMMFKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-16-13(6-7-13)10-4-5-11(9(2)15)12(14)8-10/h4-5,8-9H,3,6-7,15H2,1-2H3.
What are the key properties of 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine?
1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-ethoxycyclopropyl)-2-fluorophenyl]ethanamine is sourced from PubChem (CID 130285879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).