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

C12H15NOS — CID 63738868

IUPAC2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
SMILESNCC(CO)Cc1csc2ccccc12
InChIInChI=1S/C12H15NOS/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,8-9,14H,5-7,13H2
InChIKeyXONVPOKBOJTJIW-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.01
Rot. Bonds4

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

2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol (PubChem CID 63738868) has the molecular formula C12H15NOS and a molecular weight of 221.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
PubChem CID63738868
Molecular FormulaC12H15NOS
Molecular Weight221.33 g/mol
Exact Mass221.09
IUPAC Name2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol
SMILESNCC(CO)Cc1csc2ccccc12
InChIInChI=1S/C12H15NOS/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,8-9,14H,5-7,13H2
InChIKeyXONVPOKBOJTJIW-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 66057840
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CID 66059041
2-(1-benzothiophen-3-ylmethyl)-3-(3-methylphenyl)propan-1-ol
CID 66060121
1-(1-benzothiophen-3-yl)propan-2-ol
CID 63738111
3-(1-benzothiophen-3-yl)-2-phenylpropan-1-amine
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CID 115250957
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
3-[2-(bromomethyl)-3-(2-bromophenyl)propyl]-1-benzothiophene
CID 66043559
2-(aminomethyl)-3-(1-benzofuran-3-yl)propan-1-ol
CID 80702163
methyl 2-amino-3-(1-benzothiophen-3-yl)propanoate;hydrochloride
CID 68769670
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol (CID 63738868) is 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol is NCC(CO)Cc1csc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol?
The InChIKey is XONVPOKBOJTJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c13-6-9(7-14)5-10-8-15-12-4-2-1-3-11(10)12/h1-4,8-9,14H,5-7,13H2.
What are the key properties of 2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol?
2-(aminomethyl)-3-(1-benzothiophen-3-yl)propan-1-ol has a molecular weight of 221.33 g/mol, XLogP of 2.01, 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)propan-1-ol is sourced from PubChem (CID 63738868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).