(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine

C11H14FN — CID 29079515

IUPAC(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,7,10-11H,6,13H2,1H3/t7-,10+,11+/m0/s1
InChIKeyDBBABYOHPNDKJL-WHGOUJPWSA-N
MW179.24 g/mol
LogP2.28
Rot. Bonds2

About (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine

(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine (PubChem CID 29079515) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
PubChem CID29079515
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FN/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,7,10-11H,6,13H2,1H3/t7-,10+,11+/m0/s1
InChIKeyDBBABYOHPNDKJL-WHGOUJPWSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 29079347
(1S)-1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 124747142
1-[2-(4-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 62122616
(2R)-2-amino-N-[2-(3-fluorophenyl)cyclopropyl]propanamide
CID 119305805
(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
CID 29079485
(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 93284927
1-[2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 43312619

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine (CID 29079515) is (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine is C[C@H](N)[C@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine?
The InChIKey is DBBABYOHPNDKJL-WHGOUJPWSA-N. The full InChI is InChI=1S/C11H14FN/c1-7(13)10-6-11(10)8-3-2-4-9(12)5-8/h2-5,7,10-11H,6,13H2,1H3/t7-,10+,11+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine?
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine has a molecular weight of 179.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 29079515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).