2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol

C15H25NOS — CID 81419452

IUPAC2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCc2sccc21
InChIInChI=1S/C15H25NOS/c1-3-15(4-2,11-17)10-16-13-6-5-7-14-12(13)8-9-18-14/h8-9,13,16-17H,3-7,10-11H2,1-2H3
InChIKeyRWPJIUFBNFJFLA-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.51
Rot. Bonds6

About 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol

2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol (PubChem CID 81419452) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol
PubChem CID81419452
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCc2sccc21
InChIInChI=1S/C15H25NOS/c1-3-15(4-2,11-17)10-16-13-6-5-7-14-12(13)8-9-18-14/h8-9,13,16-17H,3-7,10-11H2,1-2H3
InChIKeyRWPJIUFBNFJFLA-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol with MolForge

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Related Compounds

3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]pentan-3-ol
CID 65108449
2-ethyl-2-[[(2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]methyl]butan-1-ol
CID 106250834
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-2-ol
CID 113261512
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 62839946
(2R)-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 103922414
5-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)pentan-1-ol
CID 62839954
2-ethyl-2-[[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]butan-1-ol
CID 106252229
N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62841242
methyl 2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetate
CID 62840360
[1-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]cyclopropyl]methanol
CID 81343397
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 112568334
4-methoxy-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butan-1-ol
CID 103785508

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol (CID 81419452) is 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol is CCC(CC)(CO)CNC1CCCc2sccc21.
What is the InChIKey of 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol?
The InChIKey is RWPJIUFBNFJFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-15(4-2,11-17)10-16-13-6-5-7-14-12(13)8-9-18-14/h8-9,13,16-17H,3-7,10-11H2,1-2H3.
What are the key properties of 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol?
2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol has a molecular weight of 267.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]butan-1-ol is sourced from PubChem (CID 81419452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).