N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine

C17H17NOS — CID 16721089

IUPACN-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
SMILESCOc1ccc(Nc2cccc3c(C)c(C)sc23)cc1
InChIInChI=1S/C17H17NOS/c1-11-12(2)20-17-15(11)5-4-6-16(17)18-13-7-9-14(19-3)10-8-13/h4-10,18H,1-3H3
InChIKeyYEEHZKFKDTWHRQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP5.27
Rot. Bonds3

About N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine

N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine (PubChem CID 16721089) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
PubChem CID16721089
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine
SMILESCOc1ccc(Nc2cccc3c(C)c(C)sc23)cc1
InChIInChI=1S/C17H17NOS/c1-11-12(2)20-17-15(11)5-4-6-16(17)18-13-7-9-14(19-3)10-8-13/h4-10,18H,1-3H3
InChIKeyYEEHZKFKDTWHRQ-UHFFFAOYSA-N
XLogP5.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.40
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (Z)-3-[4-[(2,3-dimethyl-1-benzothiophen-7-yl)amino]phenyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 11730600
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
N-(3-methoxyphenyl)-2,3,4,7-tetramethyl-1-benzothiophen-6-amine
CID 12986991
1,8-bis(4-methoxyanilino)anthracene-9,10-dione
CID 22756934
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
3-N-(4-methoxyphenyl)-1-N-methylbenzene-1,3-diamine
CID 117027159
4-[3-[2,4-bis(4-methoxyanilino)phenoxy]phenoxy]-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-diamine
CID 54565437
bis[2-(4-methoxyanilino)phenyl]methanone
CID 141301142
N-(4-methoxyphenyl)-2-nitrosoaniline
CID 154665125
6-methyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-8-amine
CID 171730649

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine?
The IUPAC name of N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine (CID 16721089) is N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine?
The canonical SMILES for N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine is COc1ccc(Nc2cccc3c(C)c(C)sc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine?
The InChIKey is YEEHZKFKDTWHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-11-12(2)20-17-15(11)5-4-6-16(17)18-13-7-9-14(19-3)10-8-13/h4-10,18H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine?
N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine has a molecular weight of 283.40 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,3-dimethyl-1-benzothiophen-7-amine is sourced from PubChem (CID 16721089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).