1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine

C13H18FN — CID 117296645

IUPAC1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(CCF)cc2)CC1
InChIInChI=1S/C13H18FN/c1-10(15)13(7-8-13)12-4-2-11(3-5-12)6-9-14/h2-5,10H,6-9,15H2,1H3
InChIKeyKLMUHRRAQBVERF-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.58
Rot. Bonds4

About 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine

1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine (PubChem CID 117296645) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine
PubChem CID117296645
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2ccc(CCF)cc2)CC1
InChIInChI=1S/C13H18FN/c1-10(15)13(7-8-13)12-4-2-11(3-5-12)6-9-14/h2-5,10H,6-9,15H2,1H3
InChIKeyKLMUHRRAQBVERF-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine (CID 117296645) is 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine is CC(N)C1(c2ccc(CCF)cc2)CC1.
What is the InChIKey of 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine?
The InChIKey is KLMUHRRAQBVERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-10(15)13(7-8-13)12-4-2-11(3-5-12)6-9-14/h2-5,10H,6-9,15H2,1H3.
What are the key properties of 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine?
1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine has a molecular weight of 207.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-fluoroethyl)phenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117296645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).