2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine

C14H18FN3 — CID 112567147

IUPAC2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine
SMILESCn1nc(CC(F)(CN)C2CC2)c2ccccc21
InChIInChI=1S/C14H18FN3/c1-18-13-5-3-2-4-11(13)12(17-18)8-14(15,9-16)10-6-7-10/h2-5,10H,6-9,16H2,1H3
InChIKeyCZWIUVPIRNTCKF-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.19
Rot. Bonds4

About 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine

2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine (PubChem CID 112567147) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine
PubChem CID112567147
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine
SMILESCn1nc(CC(F)(CN)C2CC2)c2ccccc21
InChIInChI=1S/C14H18FN3/c1-18-13-5-3-2-4-11(13)12(17-18)8-14(15,9-16)10-6-7-10/h2-5,10H,6-9,16H2,1H3
InChIKeyCZWIUVPIRNTCKF-UHFFFAOYSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine (CID 112567147) is 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine is Cn1nc(CC(F)(CN)C2CC2)c2ccccc21.
What is the InChIKey of 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine?
The InChIKey is CZWIUVPIRNTCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-18-13-5-3-2-4-11(13)12(17-18)8-14(15,9-16)10-6-7-10/h2-5,10H,6-9,16H2,1H3.
What are the key properties of 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine?
2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-3-(1-methylindazol-3-yl)propan-1-amine is sourced from PubChem (CID 112567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).