N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C17H21NS — CID 63433837

IUPACN-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCCc1ccccc1NC1CCCc2sccc21
InChIInChI=1S/C17H21NS/c1-2-6-13-7-3-4-8-15(13)18-16-9-5-10-17-14(16)11-12-19-17/h3-4,7-8,11-12,16,18H,2,5-6,9-10H2,1H3
InChIKeyPQSDBWVQSHTGMJ-UHFFFAOYSA-N
MW271.43 g/mol
LogP5.19
Rot. Bonds4

About N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 63433837) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID63433837
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC NameN-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCCc1ccccc1NC1CCCc2sccc21
InChIInChI=1S/C17H21NS/c1-2-6-13-7-3-4-8-15(13)18-16-9-5-10-17-14(16)11-12-19-17/h3-4,7-8,11-12,16,18H,2,5-6,9-10H2,1H3
InChIKeyPQSDBWVQSHTGMJ-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122146
N-(2-thiophen-2-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63445389
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63418984
N-(3-fluoro-2-iodophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114258382
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
N-(2,5-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840365
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842628
4-methyl-3-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,3-diamine
CID 62840454
4-methyl-1-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,2-diamine
CID 62840451
N-(2-bromo-5-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82761829
N-(2-ethoxy-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840390
methyl 2-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoate
CID 62840217

Frequently Asked Questions

What is the IUPAC name of N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 63433837) is N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCCc1ccccc1NC1CCCc2sccc21.
What is the InChIKey of N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is PQSDBWVQSHTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NS/c1-2-6-13-7-3-4-8-15(13)18-16-9-5-10-17-14(16)11-12-19-17/h3-4,7-8,11-12,16,18H,2,5-6,9-10H2,1H3.
What are the key properties of N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 271.43 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 63433837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).