1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine

C13H15FN2 — CID 117311124

IUPAC1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1c[nH]c2c(F)cc(CC3(N)CC3)cc12
InChIInChI=1S/C13H15FN2/c1-8-7-16-12-10(8)4-9(5-11(12)14)6-13(15)2-3-13/h4-5,7,16H,2-3,6,15H2,1H3
InChIKeyDOEJDZIBGMSBLV-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.65
Rot. Bonds2

About 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine

1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine (PubChem CID 117311124) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine
PubChem CID117311124
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine
SMILESCc1c[nH]c2c(F)cc(CC3(N)CC3)cc12
InChIInChI=1S/C13H15FN2/c1-8-7-16-12-10(8)4-9(5-11(12)14)6-13(15)2-3-13/h4-5,7,16H,2-3,6,15H2,1H3
InChIKeyDOEJDZIBGMSBLV-UHFFFAOYSA-N
XLogP2.65
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine (CID 117311124) is 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine is Cc1c[nH]c2c(F)cc(CC3(N)CC3)cc12.
What is the InChIKey of 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine?
The InChIKey is DOEJDZIBGMSBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-8-7-16-12-10(8)4-9(5-11(12)14)6-13(15)2-3-13/h4-5,7,16H,2-3,6,15H2,1H3.
What are the key properties of 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine?
1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine has a molecular weight of 218.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117311124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).