(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine

C13H18FN — CID 142359907

IUPAC(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine
SMILESC[C@H](N)c1cc(F)cc(CCC2CC2)c1
InChIInChI=1S/C13H18FN/c1-9(15)12-6-11(7-13(14)8-12)5-4-10-2-3-10/h6-10H,2-5,15H2,1H3/t9-/m0/s1
InChIKeyNZBSKMSTSYQHFS-VIFPVBQESA-N
MW207.29 g/mol
LogP3.19
Rot. Bonds4

About (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine

(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine (PubChem CID 142359907) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine
PubChem CID142359907
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine
SMILESC[C@H](N)c1cc(F)cc(CCC2CC2)c1
InChIInChI=1S/C13H18FN/c1-9(15)12-6-11(7-13(14)8-12)5-4-10-2-3-10/h6-10H,2-5,15H2,1H3/t9-/m0/s1
InChIKeyNZBSKMSTSYQHFS-VIFPVBQESA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine?
The IUPAC name of (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine (CID 142359907) is (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine is C[C@H](N)c1cc(F)cc(CCC2CC2)c1.
What is the InChIKey of (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine?
The InChIKey is NZBSKMSTSYQHFS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18FN/c1-9(15)12-6-11(7-13(14)8-12)5-4-10-2-3-10/h6-10H,2-5,15H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine?
(1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine has a molecular weight of 207.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(2-cyclopropylethyl)-5-fluorophenyl]ethanamine is sourced from PubChem (CID 142359907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).