1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine

C13H15FN2 — CID 96609980

IUPAC1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine
SMILESCc1[nH]c2c(F)cc(C3(N)CC3)cc2c1C
InChIInChI=1S/C13H15FN2/c1-7-8(2)16-12-10(7)5-9(6-11(12)14)13(15)3-4-13/h5-6,16H,3-4,15H2,1-2H3
InChIKeyPAZUSYHFOAWMRX-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.87
Rot. Bonds1

About 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine

1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine (PubChem CID 96609980) has the molecular formula C13H15FN2 and a molecular weight of 218.27 g/mol. Its IUPAC name is 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine
PubChem CID96609980
Molecular FormulaC13H15FN2
Molecular Weight218.27 g/mol
Exact Mass218.12
IUPAC Name1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine
SMILESCc1[nH]c2c(F)cc(C3(N)CC3)cc2c1C
InChIInChI=1S/C13H15FN2/c1-7-8(2)16-12-10(7)5-9(6-11(12)14)13(15)3-4-13/h5-6,16H,3-4,15H2,1-2H3
InChIKeyPAZUSYHFOAWMRX-UHFFFAOYSA-N
XLogP2.87
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine (CID 96609980) is 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine is Cc1[nH]c2c(F)cc(C3(N)CC3)cc2c1C.
What is the InChIKey of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine?
The InChIKey is PAZUSYHFOAWMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-7-8(2)16-12-10(7)5-9(6-11(12)14)13(15)3-4-13/h5-6,16H,3-4,15H2,1-2H3.
What are the key properties of 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine?
1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine has a molecular weight of 218.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 96609980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).