(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine

C10H13FN2 — CID 130679719

IUPAC(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
SMILESN[C@@H](CC1CC1)c1ccncc1F
InChIInChI=1S/C10H13FN2/c11-9-6-13-4-3-8(9)10(12)5-7-1-2-7/h3-4,6-7,10H,1-2,5,12H2/t10-/m0/s1
InChIKeyLCEAOUKDHXAJLU-JTQLQIEISA-N
MW180.23 g/mol
LogP2.02
Rot. Bonds3

About (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine

(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine (PubChem CID 130679719) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
PubChem CID130679719
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine
SMILESN[C@@H](CC1CC1)c1ccncc1F
InChIInChI=1S/C10H13FN2/c11-9-6-13-4-3-8(9)10(12)5-7-1-2-7/h3-4,6-7,10H,1-2,5,12H2/t10-/m0/s1
InChIKeyLCEAOUKDHXAJLU-JTQLQIEISA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-amino-2-cyclopropylethyl)pyridin-3-amine
CID 55292075
[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethyl]hydrazine
CID 105254097
(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
CID 55276827
2-cyclopropyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 79016147
N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 113447257
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(3-fluoro-4-pyridinyl)-(4-propylcyclohexyl)methanol
CID 104738027
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine (CID 130679719) is (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine is N[C@@H](CC1CC1)c1ccncc1F.
What is the InChIKey of (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine?
The InChIKey is LCEAOUKDHXAJLU-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-6-13-4-3-8(9)10(12)5-7-1-2-7/h3-4,6-7,10H,1-2,5,12H2/t10-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine?
(1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine has a molecular weight of 180.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanamine is sourced from PubChem (CID 130679719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).