2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine

C14H23NOS — CID 55065951

IUPAC2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(CN)OCC1CCCCC1
InChIInChI=1S/C14H23NOS/c1-11-7-8-17-14(11)13(9-15)16-10-12-5-3-2-4-6-12/h7-8,12-13H,2-6,9-10,15H2,1H3
InChIKeyJLNPBEMQSQSYDI-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.65
Rot. Bonds5

About 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine

2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 55065951) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID55065951
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1C(CN)OCC1CCCCC1
InChIInChI=1S/C14H23NOS/c1-11-7-8-17-14(11)13(9-15)16-10-12-5-3-2-4-6-12/h7-8,12-13H,2-6,9-10,15H2,1H3
InChIKeyJLNPBEMQSQSYDI-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine (CID 55065951) is 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1C(CN)OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is JLNPBEMQSQSYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11-7-8-17-14(11)13(9-15)16-10-12-5-3-2-4-6-12/h7-8,12-13H,2-6,9-10,15H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine?
2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 55065951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).