[5-(aminomethyl)-1-ethylindol-2-yl]methanol

C12H16N2O — CID 117177076

IUPAC[5-(aminomethyl)-1-ethylindol-2-yl]methanol
SMILESCCn1c(CO)cc2cc(CN)ccc21
InChIInChI=1S/C12H16N2O/c1-2-14-11(8-15)6-10-5-9(7-13)3-4-12(10)14/h3-6,15H,2,7-8,13H2,1H3
InChIKeyYEWVVNHZGLGZSB-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.61
Rot. Bonds3

About [5-(aminomethyl)-1-ethylindol-2-yl]methanol

[5-(aminomethyl)-1-ethylindol-2-yl]methanol (PubChem CID 117177076) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is [5-(aminomethyl)-1-ethylindol-2-yl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-1-ethylindol-2-yl]methanol
PubChem CID117177076
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name[5-(aminomethyl)-1-ethylindol-2-yl]methanol
SMILESCCn1c(CO)cc2cc(CN)ccc21
InChIInChI=1S/C12H16N2O/c1-2-14-11(8-15)6-10-5-9(7-13)3-4-12(10)14/h3-6,15H,2,7-8,13H2,1H3
InChIKeyYEWVVNHZGLGZSB-UHFFFAOYSA-N
XLogP1.61
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-ethyl-2-(ethylsulfonylmethyl)indol-5-yl]methanamine
CID 117177027
[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]indol-5-yl]methanamine
CID 117177024
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-5-yl]methanamine
CID 117177052
[2-(ethylsulfanylmethyl)-1-methylindol-5-yl]methanamine
CID 117176571
2-(5-chloro-1-ethylindol-2-yl)ethanol
CID 117121550
[1-ethyl-6-(trifluoromethyl)indol-2-yl]methanol
CID 117122614
[1-ethyl-2-(phenoxymethyl)indol-6-yl]methanamine
CID 117180480
5-(aminomethyl)-1-ethylbenzimidazole-2-carboxylic acid
CID 84786621
1-ethyl-2-(methoxymethyl)indol-5-ol
CID 117177336
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
CID 117180500
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one
CID 65038062

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-1-ethylindol-2-yl]methanol?
The IUPAC name of [5-(aminomethyl)-1-ethylindol-2-yl]methanol (CID 117177076) is [5-(aminomethyl)-1-ethylindol-2-yl]methanol.
What is the SMILES notation for [5-(aminomethyl)-1-ethylindol-2-yl]methanol?
The canonical SMILES for [5-(aminomethyl)-1-ethylindol-2-yl]methanol is CCn1c(CO)cc2cc(CN)ccc21.
What is the InChIKey of [5-(aminomethyl)-1-ethylindol-2-yl]methanol?
The InChIKey is YEWVVNHZGLGZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-14-11(8-15)6-10-5-9(7-13)3-4-12(10)14/h3-6,15H,2,7-8,13H2,1H3.
What are the key properties of [5-(aminomethyl)-1-ethylindol-2-yl]methanol?
[5-(aminomethyl)-1-ethylindol-2-yl]methanol has a molecular weight of 204.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-1-ethylindol-2-yl]methanol is sourced from PubChem (CID 117177076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).