2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

C15H25NOS — CID 55020997

IUPAC2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OC(CN)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C15H25NOS/c1-11-7-12(9-15(2,3)8-11)17-13(10-16)14-5-4-6-18-14/h4-6,11-13H,7-10,16H2,1-3H3
InChIKeyOIMITZBGYRBBSJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.98
Rot. Bonds4

About 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine

2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (PubChem CID 55020997) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.

Molecular Properties

Compound Name2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
PubChem CID55020997
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
SMILESCC1CC(OC(CN)c2cccs2)CC(C)(C)C1
InChIInChI=1S/C15H25NOS/c1-11-7-12(9-15(2,3)8-11)17-13(10-16)14-5-4-6-18-14/h4-6,11-13H,7-10,16H2,1-3H3
InChIKeyOIMITZBGYRBBSJ-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-2-thiophen-2-ylethanamine
CID 26722465
3-methoxy-2-(3,3,5-trimethylcyclohexyl)oxypropan-1-amine
CID 103227873
3-thiophen-2-yl-3-[(3,3,5-trimethylcyclohexyl)amino]propanoic acid
CID 43727712
2-(4-methoxyphenoxy)-2-thiophen-2-ylethanamine
CID 55020992
1-amino-3-(3,3,5-trimethylcyclohexyl)oxypropan-2-ol
CID 2770887
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133
2-(4-bromo-2,5-dichlorophenoxy)-2-thiophen-2-ylethanamine
CID 107656089
2-(3-methyl-4-propan-2-ylphenoxy)-2-thiophen-2-ylethanamine
CID 55022021
N-[(1S,5R)-3,3,5-trimethylcyclohexyl]thiophene-2-sulfonamide
CID 769116
2-(3,3-dimethylbutoxy)-2-thiophen-2-ylethanamine
CID 66234022
(R)-[(1S,2S)-1-(aminomethyl)-2-methylcyclopropyl]-thiophen-2-ylmethanol
CID 99962438
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanamine
CID 16642687

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The IUPAC name of 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine (CID 55020997) is 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine.
What is the SMILES notation for 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The canonical SMILES for 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is CC1CC(OC(CN)c2cccs2)CC(C)(C)C1.
What is the InChIKey of 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
The InChIKey is OIMITZBGYRBBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11-7-12(9-15(2,3)8-11)17-13(10-16)14-5-4-6-18-14/h4-6,11-13H,7-10,16H2,1-3H3.
What are the key properties of 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine?
2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-2-(3,3,5-trimethylcyclohexyl)oxyethanamine is sourced from PubChem (CID 55020997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).