N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline

C17H17NOS — CID 114909636

IUPACN-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2cc3ccccc3s2)cc1
InChIInChI=1S/C17H17NOS/c1-12(18-14-7-9-15(19-2)10-8-14)17-11-13-5-3-4-6-16(13)20-17/h3-12,18H,1-2H3
InChIKeyFDTWWFABOXTFOM-UHFFFAOYSA-N
MW283.40 g/mol
LogP5.08
Rot. Bonds4

About N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline

N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline (PubChem CID 114909636) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline.

Molecular Properties

Compound NameN-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
PubChem CID114909636
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
SMILESCOc1ccc(NC(C)c2cc3ccccc3s2)cc1
InChIInChI=1S/C17H17NOS/c1-12(18-14-7-9-15(19-2)10-8-14)17-11-13-5-3-4-6-16(13)20-17/h3-12,18H,1-2H3
InChIKeyFDTWWFABOXTFOM-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-4-bromo-3-methoxyaniline
CID 114910028
N-[1-(1-benzothiophen-2-yl)ethyl]-2-fluoro-5-methoxyaniline
CID 114909985
1-(1-benzothiophen-2-yl)-N-methoxyethanamine
CID 114910021
N-[1-(1-benzothiophen-2-yl)ethyl]-3-iodo-4-methylaniline
CID 114909749
N-[1-(1-benzothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 114909572
4-[1-(1-benzothiophen-2-yl)ethylamino]-2,6-dichlorophenol
CID 107678990
N-[1-(1-benzothiophen-2-yl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 114909599
N-[1-(1-benzothiophen-2-yl)ethyl]-5-bromo-2-methoxyaniline
CID 114909841
4-[1-(1-benzothiophen-2-yl)ethylamino]-2-chlorobenzonitrile
CID 114909699
N-[1-(1-benzothiophen-2-yl)ethyl]-2,4,6-trimethylaniline
CID 114909796
1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196028
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline?
The IUPAC name of N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline (CID 114909636) is N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline.
What is the SMILES notation for N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline?
The canonical SMILES for N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline is COc1ccc(NC(C)c2cc3ccccc3s2)cc1.
What is the InChIKey of N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline?
The InChIKey is FDTWWFABOXTFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12(18-14-7-9-15(19-2)10-8-14)17-11-13-5-3-4-6-16(13)20-17/h3-12,18H,1-2H3.
What are the key properties of N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline?
N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline has a molecular weight of 283.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline is sourced from PubChem (CID 114909636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).