2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol

C15H25NOS — CID 81339661

IUPAC2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol
SMILESCC(C)C1CCCCC1NCC(O)c1cccs1
InChIInChI=1S/C15H25NOS/c1-11(2)12-6-3-4-7-13(12)16-10-14(17)15-8-5-9-18-15/h5,8-9,11-14,16-17H,3-4,6-7,10H2,1-2H3
InChIKeyJTZQAWMFWKDFQC-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.59
Rot. Bonds5

About 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol

2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol (PubChem CID 81339661) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol
PubChem CID81339661
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol
SMILESCC(C)C1CCCCC1NCC(O)c1cccs1
InChIInChI=1S/C15H25NOS/c1-11(2)12-6-3-4-7-13(12)16-10-14(17)15-8-5-9-18-15/h5,8-9,11-14,16-17H,3-4,6-7,10H2,1-2H3
InChIKeyJTZQAWMFWKDFQC-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-1-thiophen-2-ylethanol
CID 54967833
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
N-(2-methylpropyl)-2-propan-2-ylcyclohexan-1-amine
CID 81301790
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115
2-(2-cyclohexyloxyethylamino)-1-thiophen-2-ylethanol
CID 63827685
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-(1-thiophen-2-ylethylamino)cyclohexan-1-ol
CID 60884836
trans-(1R,2R)-2-methylsulfonyl-N-[(2R)-2-thiophen-2-ylpropyl]cyclohexan-1-amine
CID 129424855
3-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-2,2-dimethylcyclobutan-1-ol
CID 115976768
2-(1-thiophen-2-ylethylamino)cycloheptan-1-ol
CID 60909745
1-cyclopropyl-2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]ethanol
CID 63296586
2-(cycloheptylamino)-1-thiophen-2-ylpropan-1-ol
CID 82314428

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol?
The IUPAC name of 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol (CID 81339661) is 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol?
The canonical SMILES for 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol is CC(C)C1CCCCC1NCC(O)c1cccs1.
What is the InChIKey of 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol?
The InChIKey is JTZQAWMFWKDFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11(2)12-6-3-4-7-13(12)16-10-14(17)15-8-5-9-18-15/h5,8-9,11-14,16-17H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol?
2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol has a molecular weight of 267.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylcyclohexyl)amino]-1-thiophen-2-ylethanol is sourced from PubChem (CID 81339661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).