N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol

C16H20N2OS — CID 67721566

IUPACN-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol
SMILESCC(O)c1c[nH]c2ccc(-c3cccs3)cc12.CNC
InChIInChI=1S/C14H13NOS.C2H7N/c1-9(16)12-8-15-13-5-4-10(7-11(12)13)14-3-2-6-17-14;1-3-2/h2-9,15-16H,1H3;3H,1-2H3
InChIKeyOUKKCNBTZIVKII-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.79
Rot. Bonds2

About N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol

N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol (PubChem CID 67721566) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound NameN-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol
PubChem CID67721566
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol
SMILESCC(O)c1c[nH]c2ccc(-c3cccs3)cc12.CNC
InChIInChI=1S/C14H13NOS.C2H7N/c1-9(16)12-8-15-13-5-4-10(7-11(12)13)14-3-2-6-17-14;1-3-2/h2-9,15-16H,1H3;3H,1-2H3
InChIKeyOUKKCNBTZIVKII-UHFFFAOYSA-N
XLogP3.79
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol?
The IUPAC name of N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol (CID 67721566) is N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol.
What is the SMILES notation for N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol?
The canonical SMILES for N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol is CC(O)c1c[nH]c2ccc(-c3cccs3)cc12.CNC.
What is the InChIKey of N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol?
The InChIKey is OUKKCNBTZIVKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS.C2H7N/c1-9(16)12-8-15-13-5-4-10(7-11(12)13)14-3-2-6-17-14;1-3-2/h2-9,15-16H,1H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol?
N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol has a molecular weight of 288.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;1-(5-thiophen-2-yl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 67721566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).