2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol

C20H21NOS — CID 42837186

IUPAC2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
SMILESOC(CN(Cc1ccccc1)Cc1cccs1)c1ccccc1
InChIInChI=1S/C20H21NOS/c22-20(18-10-5-2-6-11-18)16-21(15-19-12-7-13-23-19)14-17-8-3-1-4-9-17/h1-13,20,22H,14-16H2
InChIKeyIJYRLMPTQLOFTG-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.48
Rot. Bonds7

About 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol

2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol (PubChem CID 42837186) has the molecular formula C20H21NOS and a molecular weight of 323.46 g/mol. Its IUPAC name is 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
PubChem CID42837186
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC Name2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol
SMILESOC(CN(Cc1ccccc1)Cc1cccs1)c1ccccc1
InChIInChI=1S/C20H21NOS/c22-20(18-10-5-2-6-11-18)16-21(15-19-12-7-13-23-19)14-17-8-3-1-4-9-17/h1-13,20,22H,14-16H2
InChIKeyIJYRLMPTQLOFTG-UHFFFAOYSA-N
XLogP4.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzhydryl-4-(thiophen-2-yl)piperidin-4-ol
CID 10315818
1-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
2-[(5-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6461664
Benzenemethanol, alpha-(1-((3,3-di-3-thienyl-2-propenyl)amino)ethyl)-, (R-(R*,S*))-
CID 3033341
4-(2-Benzhydryloxy-ethyl)-1-thiophen-2-ylmethyl-piperidine
CID 10500677
1-Benzyl-4-[2-(phenyl-thiophen-2-yl-methoxy)-ethyl]-piperidine
CID 10691872
2-(1-Benzylpiperidin-4-yl)-1-thiophen-2-ylethanol;hydrate
CID 44358010
4-Phenyl-1-(phenyl(thiophen-2-yl)methyl)piperidin-4-ol
CID 44426824
1-Benzhydryl-4-(3-methylthiophen-2-yl)piperidin-4-ol
CID 44430033
1-(1-benzothiophen-2-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 66572162
1-(1-benzothiophen-3-yl)-3-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
CID 66572393
6-(benzylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-ol
CID 155539094

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol?
The IUPAC name of 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol (CID 42837186) is 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol is OC(CN(Cc1ccccc1)Cc1cccs1)c1ccccc1.
What is the InChIKey of 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol?
The InChIKey is IJYRLMPTQLOFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOS/c22-20(18-10-5-2-6-11-18)16-21(15-19-12-7-13-23-19)14-17-8-3-1-4-9-17/h1-13,20,22H,14-16H2.
What are the key properties of 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol?
2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol has a molecular weight of 323.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(thiophen-2-ylmethyl)amino]-1-phenylethanol is sourced from PubChem (CID 42837186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).