N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine

C17H17NOS — CID 43687855

IUPACN-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
SMILESCOc1cccc(C(C)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C17H17NOS/c1-12(13-4-3-5-16(11-13)19-2)18-15-6-7-17-14(10-15)8-9-20-17/h3-12,18H,1-2H3
InChIKeyYEQWMWPJLBIRDA-UHFFFAOYSA-N
MW283.40 g/mol
LogP5.08
Rot. Bonds4

About N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine

N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine (PubChem CID 43687855) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
PubChem CID43687855
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine
SMILESCOc1cccc(C(C)Nc2ccc3sccc3c2)c1
InChIInChI=1S/C17H17NOS/c1-12(13-4-3-5-16(11-13)19-2)18-15-6-7-17-14(10-15)8-9-20-17/h3-12,18H,1-2H3
InChIKeyYEQWMWPJLBIRDA-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

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Related Compounds

3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
3-fluoro-4-methoxy-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43380564
N-[1-(2,6-difluorophenyl)ethyl]-1-benzothiophen-5-amine
CID 43687757
N-[1-(3-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 112731172
1-N-[1-(3-methoxyphenyl)ethyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43616993
2-chloro-5-[1-(3-methoxyphenyl)ethylamino]benzonitrile
CID 43686946
3-ethyl-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43196055
2-chloro-4-[1-(3-methoxyphenyl)ethylamino]benzamide
CID 43736525
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392
[2-ethoxy-5-[1-(3-methoxyphenyl)ethylamino]phenyl]methanol
CID 110897363
N-(dithiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43781971

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine (CID 43687855) is N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine is COc1cccc(C(C)Nc2ccc3sccc3c2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine?
The InChIKey is YEQWMWPJLBIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-12(13-4-3-5-16(11-13)19-2)18-15-6-7-17-14(10-15)8-9-20-17/h3-12,18H,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine?
N-[1-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine 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-(3-methoxyphenyl)ethyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 43687855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).