3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol

C14H20N2OS — CID 83176448

IUPAC3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
SMILESCC(CCO)NC(CN)c1csc2ccccc12
InChIInChI=1S/C14H20N2OS/c1-10(6-7-17)16-13(8-15)12-9-18-14-5-3-2-4-11(12)14/h2-5,9-10,13,16-17H,6-8,15H2,1H3
InChIKeyGDAAEQOGXVWFSV-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.26
Rot. Bonds6

About 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol

3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol (PubChem CID 83176448) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
PubChem CID83176448
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol
SMILESCC(CCO)NC(CN)c1csc2ccccc12
InChIInChI=1S/C14H20N2OS/c1-10(6-7-17)16-13(8-15)12-9-18-14-5-3-2-4-11(12)14/h2-5,9-10,13,16-17H,6-8,15H2,1H3
InChIKeyGDAAEQOGXVWFSV-UHFFFAOYSA-N
XLogP2.26
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol with MolForge

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Related Compounds

3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
4-(1-benzothiophen-3-yl)-4-(methylamino)butan-1-ol
CID 116953028
5-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]pentan-1-ol
CID 107317019
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
1-(1-benzothiophen-3-yl)-N-but-2-ynylethane-1,2-diamine
CID 113464571
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
3-[[2-amino-1-(2-cyclopropylphenyl)ethyl]amino]butan-1-ol
CID 83177751
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
methyl 2-(1-benzothiophen-3-yl)-2-(butan-2-ylamino)acetate
CID 62699825
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
[1-(1-benzothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298182
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol?
The IUPAC name of 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol (CID 83176448) is 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol is CC(CCO)NC(CN)c1csc2ccccc12.
What is the InChIKey of 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol?
The InChIKey is GDAAEQOGXVWFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(6-7-17)16-13(8-15)12-9-18-14-5-3-2-4-11(12)14/h2-5,9-10,13,16-17H,6-8,15H2,1H3.
What are the key properties of 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol?
3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol has a molecular weight of 264.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(1-benzothiophen-3-yl)ethyl]amino]butan-1-ol is sourced from PubChem (CID 83176448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).