1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone

C17H15NOS — CID 116548203

IUPAC1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
SMILESNCc1ccc(C(=O)Cc2csc3ccccc23)cc1
InChIInChI=1S/C17H15NOS/c18-10-12-5-7-13(8-6-12)16(19)9-14-11-20-17-4-2-1-3-15(14)17/h1-8,11H,9-10,18H2
InChIKeyMASCZYMQPNISDP-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.79
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone

1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone (PubChem CID 116548203) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
PubChem CID116548203
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone
SMILESNCc1ccc(C(=O)Cc2csc3ccccc23)cc1
InChIInChI=1S/C17H15NOS/c18-10-12-5-7-13(8-6-12)16(19)9-14-11-20-17-4-2-1-3-15(14)17/h1-8,11H,9-10,18H2
InChIKeyMASCZYMQPNISDP-UHFFFAOYSA-N
XLogP3.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-(3,4-dichlorophenyl)ethanone
CID 81491388
1-(4-amino-3-methylphenyl)-2-(1-benzothiophen-3-yl)ethanone
CID 116553925
2-(1-benzothiophen-3-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanone
CID 107502507
2-(1-benzothiophen-3-yl)-1-(3-methoxyphenyl)ethanone
CID 63739162
2-(1-benzothiophen-3-yl)-1-(3-chloro-4-fluorophenyl)ethanone
CID 63738642
2-(1-benzothiophen-3-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 114965683
1-benzothiophen-3-ylmethyl 4-oxo-4-phenylbutanoate
CID 55885743
2-(5-methyl-1-benzothiophen-3-yl)-1-phenylethanone
CID 14288885
2-(1-benzothiophen-3-yl)-1-(2-chloro-3-methylphenyl)ethanone
CID 114965661
2-(1-benzothiophen-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450421
1-(5-amino-1H-pyrazol-4-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 65360118
2-(1-benzothiophen-3-yl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114965639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone (CID 116548203) is 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone is NCc1ccc(C(=O)Cc2csc3ccccc23)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone?
The InChIKey is MASCZYMQPNISDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c18-10-12-5-7-13(8-6-12)16(19)9-14-11-20-17-4-2-1-3-15(14)17/h1-8,11H,9-10,18H2.
What are the key properties of 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone?
1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone has a molecular weight of 281.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-2-(1-benzothiophen-3-yl)ethanone is sourced from PubChem (CID 116548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).