N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine

C17H17NO2S — CID 60728035

IUPACN-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine
SMILESCOc1ccc(OCCNc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H17NO2S/c1-19-15-3-5-16(6-4-15)20-10-9-18-14-2-7-17-13(12-14)8-11-21-17/h2-8,11-12,18H,9-10H2,1H3
InChIKeyBUQVHAJSLVHCOH-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine

N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine (PubChem CID 60728035) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine
PubChem CID60728035
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine
SMILESCOc1ccc(OCCNc2ccc3sccc3c2)cc1
InChIInChI=1S/C17H17NO2S/c1-19-15-3-5-16(6-4-15)20-10-9-18-14-2-7-17-13(12-14)8-11-21-17/h2-8,11-12,18H,9-10H2,1H3
InChIKeyBUQVHAJSLVHCOH-UHFFFAOYSA-N
XLogP4.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-1-benzothiophen-5-amine
CID 65473732
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-benzothiophen-5-amine
CID 112589195
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
2-[(1-benzothiophen-5-ylamino)methyl]-4-methoxyphenol
CID 43687645
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 60679168
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-benzothiophen-5-amine
CID 43687800
N-(1-benzothiophen-5-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114525182
N-(4-methylpentyl)-1-benzothiophen-5-amine
CID 83156262
5-butoxy-1-benzothiophene
CID 23058090
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine (CID 60728035) is N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine is COc1ccc(OCCNc2ccc3sccc3c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine?
The InChIKey is BUQVHAJSLVHCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-19-15-3-5-16(6-4-15)20-10-9-18-14-2-7-17-13(12-14)8-11-21-17/h2-8,11-12,18H,9-10H2,1H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine?
N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine has a molecular weight of 299.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 60728035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).