1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine

C14H17FN2 — CID 105491337

IUPAC1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine
SMILESCc1[nH]c2cccc(F)c2c1CCC1(N)CC1
InChIInChI=1S/C14H17FN2/c1-9-10(5-6-14(16)7-8-14)13-11(15)3-2-4-12(13)17-9/h2-4,17H,5-8,16H2,1H3
InChIKeyHEZHEXMNWWNYGK-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.04
Rot. Bonds3

About 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine

1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine (PubChem CID 105491337) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine
PubChem CID105491337
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine
SMILESCc1[nH]c2cccc(F)c2c1CCC1(N)CC1
InChIInChI=1S/C14H17FN2/c1-9-10(5-6-14(16)7-8-14)13-11(15)3-2-4-12(13)17-9/h2-4,17H,5-8,16H2,1H3
InChIKeyHEZHEXMNWWNYGK-UHFFFAOYSA-N
XLogP3.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine (CID 105491337) is 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine is Cc1[nH]c2cccc(F)c2c1CCC1(N)CC1.
What is the InChIKey of 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine?
The InChIKey is HEZHEXMNWWNYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-9-10(5-6-14(16)7-8-14)13-11(15)3-2-4-12(13)17-9/h2-4,17H,5-8,16H2,1H3.
What are the key properties of 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine?
1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine has a molecular weight of 232.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105491337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).