3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C16H19NS — CID 82366303

IUPAC3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCc1ccc(-c2c(N)sc3c2CCCC3)c(C)c1
InChIInChI=1S/C16H19NS/c1-10-7-8-12(11(2)9-10)15-13-5-3-4-6-14(13)18-16(15)17/h7-9H,3-6,17H2,1-2H3
InChIKeyCWBOAHJHIPZNJO-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.49
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 82366303) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID82366303
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCc1ccc(-c2c(N)sc3c2CCCC3)c(C)c1
InChIInChI=1S/C16H19NS/c1-10-7-8-12(11(2)9-10)15-13-5-3-4-6-14(13)18-16(15)17/h7-9H,3-6,17H2,1-2H3
InChIKeyCWBOAHJHIPZNJO-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366265
3-(4-methoxy-2-methylphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 82366349
3-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 45117633
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
3-(2-methyl-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 62696246
2-amino-4-(2,4-dimethylphenyl)-5-methylthiophene-3-carbonitrile
CID 82028197
3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 91137001
3-(4-methyl-1,3-benzoxazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 61037952
3-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 81139867
[10-(2,4-dimethylphenyl)-7-thia-9-azatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-11-yl] acetate
CID 157252332
3-(furan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 82366390
3-(2,4-dimethylphenyl)cyclohept-2-en-1-one
CID 107382852

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 82366303) is 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is Cc1ccc(-c2c(N)sc3c2CCCC3)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is CWBOAHJHIPZNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-10-7-8-12(11(2)9-10)15-13-5-3-4-6-14(13)18-16(15)17/h7-9H,3-6,17H2,1-2H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 257.40 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 82366303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).