3-(azepan-1-ylmethyl)-7-fluoro-1H-indole

C15H19FN2 — CID 117181792

IUPAC3-(azepan-1-ylmethyl)-7-fluoro-1H-indole
SMILESFc1cccc2c(CN3CCCCCC3)c[nH]c12
InChIInChI=1S/C15H19FN2/c16-14-7-5-6-13-12(10-17-15(13)14)11-18-8-3-1-2-4-9-18/h5-7,10,17H,1-4,8-9,11H2
InChIKeyIREFGAUTEGXYIU-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.68
Rot. Bonds2

About 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole

3-(azepan-1-ylmethyl)-7-fluoro-1H-indole (PubChem CID 117181792) has the molecular formula C15H19FN2 and a molecular weight of 246.33 g/mol. Its IUPAC name is 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole.

Molecular Properties

Compound Name3-(azepan-1-ylmethyl)-7-fluoro-1H-indole
PubChem CID117181792
Molecular FormulaC15H19FN2
Molecular Weight246.33 g/mol
Exact Mass246.15
IUPAC Name3-(azepan-1-ylmethyl)-7-fluoro-1H-indole
SMILESFc1cccc2c(CN3CCCCCC3)c[nH]c12
InChIInChI=1S/C15H19FN2/c16-14-7-5-6-13-12(10-17-15(13)14)11-18-8-3-1-2-4-9-18/h5-7,10,17H,1-4,8-9,11H2
InChIKeyIREFGAUTEGXYIU-UHFFFAOYSA-N
XLogP3.68
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(pyrrolidin-1-ylmethyl)-1H-indol-7-yl]methanamine
CID 84692922
7-chloro-3-(1,4-diazepan-1-ylmethyl)-1H-indole
CID 82501403
1-[(7-fluoro-1-benzofuran-3-yl)methyl]azepane
CID 117180993
3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-7-amine
CID 117181811
3-butyl-7-fluoro-1H-indole
CID 106985261
1-(7-fluoro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117197609
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
7-fluoro-3-[(4-methylpiperazin-2-yl)methyl]-1H-indole
CID 84632846
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82498246
O-[2-(7-fluoro-1H-indol-3-yl)ethyl]hydroxylamine
CID 83484408
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
N-[2-(7-fluoro-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67394638

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole?
The IUPAC name of 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole (CID 117181792) is 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole.
What is the SMILES notation for 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole?
The canonical SMILES for 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole is Fc1cccc2c(CN3CCCCCC3)c[nH]c12.
What is the InChIKey of 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole?
The InChIKey is IREFGAUTEGXYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2/c16-14-7-5-6-13-12(10-17-15(13)14)11-18-8-3-1-2-4-9-18/h5-7,10,17H,1-4,8-9,11H2.
What are the key properties of 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole?
3-(azepan-1-ylmethyl)-7-fluoro-1H-indole has a molecular weight of 246.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-ylmethyl)-7-fluoro-1H-indole is sourced from PubChem (CID 117181792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).