2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C16H19NS — CID 61078811

IUPAC2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESNC(Cc1ccccc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H19NS/c17-14(10-12-6-2-1-3-7-12)16-11-13-8-4-5-9-15(13)18-16/h1-3,6-7,11,14H,4-5,8-10,17H2
InChIKeyAQJQKFGPSSNMSV-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.87
Rot. Bonds3

About 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 61078811) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID61078811
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC Name2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESNC(Cc1ccccc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C16H19NS/c17-14(10-12-6-2-1-3-7-12)16-11-13-8-4-5-9-15(13)18-16/h1-3,6-7,11,14H,4-5,8-10,17H2
InChIKeyAQJQKFGPSSNMSV-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 61079815
2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 63527268
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63528654
2-(3-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115849224
2-(1-benzothiophen-3-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115823598
2-(5-bromothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 115840894
(2S)-2-amino-2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 96746862
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 105003349
2-(2,5-dimethylphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63527279
2-cyclopropyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 104986291
2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 105032353
2-(2-chloro-5-fluorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 102622658

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 61078811) is 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is NC(Cc1ccccc1)c1cc2c(s1)CCCC2.
What is the InChIKey of 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is AQJQKFGPSSNMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c17-14(10-12-6-2-1-3-7-12)16-11-13-8-4-5-9-15(13)18-16/h1-3,6-7,11,14H,4-5,8-10,17H2.
What are the key properties of 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 257.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 61078811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).