2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine

C12H15FN2 — CID 96617269

IUPAC2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine
SMILESCc1c[nH]c2c(F)cc(C(C)(C)N)cc12
InChIInChI=1S/C12H15FN2/c1-7-6-15-11-9(7)4-8(5-10(11)13)12(2,3)14/h4-6,15H,14H2,1-3H3
InChIKeyOEGPDVJJGZZDSQ-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.81
Rot. Bonds1

About 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine

2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine (PubChem CID 96617269) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine
PubChem CID96617269
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine
SMILESCc1c[nH]c2c(F)cc(C(C)(C)N)cc12
InChIInChI=1S/C12H15FN2/c1-7-6-15-11-9(7)4-8(5-10(11)13)12(2,3)14/h4-6,15H,14H2,1-3H3
InChIKeyOEGPDVJJGZZDSQ-UHFFFAOYSA-N
XLogP2.81
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine?
The IUPAC name of 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine (CID 96617269) is 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine?
The canonical SMILES for 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine is Cc1c[nH]c2c(F)cc(C(C)(C)N)cc12.
What is the InChIKey of 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine?
The InChIKey is OEGPDVJJGZZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-7-6-15-11-9(7)4-8(5-10(11)13)12(2,3)14/h4-6,15H,14H2,1-3H3.
What are the key properties of 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine?
2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine has a molecular weight of 206.26 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-3-methyl-1H-indol-5-yl)propan-2-amine is sourced from PubChem (CID 96617269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).