1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol

C15H19NOS — CID 10659099

IUPAC1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCN(Cc1ccccc1)CC(C)(O)c1cccs1
InChIInChI=1S/C15H19NOS/c1-15(17,14-9-6-10-18-14)12-16(2)11-13-7-4-3-5-8-13/h3-10,17H,11-12H2,1-2H3
InChIKeyBHXUFISUGXGYRZ-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.09
Rot. Bonds5

About 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol

1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol (PubChem CID 10659099) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol
PubChem CID10659099
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol
SMILESCN(Cc1ccccc1)CC(C)(O)c1cccs1
InChIInChI=1S/C15H19NOS/c1-15(17,14-9-6-10-18-14)12-16(2)11-13-7-4-3-5-8-13/h3-10,17H,11-12H2,1-2H3
InChIKeyBHXUFISUGXGYRZ-UHFFFAOYSA-N
XLogP3.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methyl)amino]-2,2-dimethylpropan-1-ol
CID 13422168
1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220221
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N-benzyl-3-bromo-N,2,2-trimethylpropan-1-amine
CID 65000908
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
3-[[(2-hydroxy-2-phenylpropyl)-methylamino]methyl]benzonitrile
CID 62968644
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N-benzyl-N,2,2-trimethylbut-3-en-1-amine
CID 101149207
3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 42867669
(1R)-3-[benzyl(methyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 69048767
1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
CID 112501508
2,5-bis(1-phenyl-2-thiophen-2-ylpropan-2-yl)thiophene
CID 10907031

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol (CID 10659099) is 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol is CN(Cc1ccccc1)CC(C)(O)c1cccs1.
What is the InChIKey of 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol?
The InChIKey is BHXUFISUGXGYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-15(17,14-9-6-10-18-14)12-16(2)11-13-7-4-3-5-8-13/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol?
1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol has a molecular weight of 261.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 10659099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).