2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol

C13H17NOS — CID 106506221

IUPAC2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(CN)(CO)Cc1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-13(8-14,9-15)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,15H,6,8-9,14H2,1H3
InChIKeyYKTXOQPKAATISD-UHFFFAOYSA-N
MW235.35 g/mol
LogP2.40
Rot. Bonds4

About 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol

2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol (PubChem CID 106506221) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
PubChem CID106506221
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC Name2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
SMILESCC(CN)(CO)Cc1csc2ccccc12
InChIInChI=1S/C13H17NOS/c1-13(8-14,9-15)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,15H,6,8-9,14H2,1H3
InChIKeyYKTXOQPKAATISD-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 63738676
(2R)-2-amino-1-(1-benzothiophen-3-yl)propan-2-ol
CID 68846114
2-(1-benzothiophen-3-ylmethyl)-2-propan-2-ylpropane-1,3-diol
CID 79449938
3-(3-bromo-2,2-dimethylpropyl)-1-benzothiophene
CID 66048185
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
3-(1-benzothiophen-3-yl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 91011346
[1-benzothiophen-3-ylmethyl(methyl)amino]methanol
CID 115229231
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
CID 63738868
3-[2-(1-benzothiophen-3-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135498
3-N-(1-benzothiophen-3-ylmethyl)-3-methylbutane-1,3-diamine
CID 115134773
1-(1-benzothiophen-3-yl)-2-phenylbutan-2-ol
CID 65146896
ethyl 2-(1-benzothiophen-3-ylmethyl)-2-methylbut-3-enoate
CID 102639305

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol (CID 106506221) is 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol is CC(CN)(CO)Cc1csc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
The InChIKey is YKTXOQPKAATISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS/c1-13(8-14,9-15)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,15H,6,8-9,14H2,1H3.
What are the key properties of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol?
2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1-benzothiophen-3-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 106506221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).