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

C16H19NS — CID 62842628

IUPACN-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(NC1CCCc2sccc21)c1ccccc1
InChIInChI=1S/C16H19NS/c1-12(13-6-3-2-4-7-13)17-15-8-5-9-16-14(15)10-11-18-16/h2-4,6-7,10-12,15,17H,5,8-9H2,1H3
InChIKeyMDDVJCMVYRVLOA-UHFFFAOYSA-N
MW257.40 g/mol
LogP4.48
Rot. Bonds3

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

N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 62842628) has the molecular formula C16H19NS and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID62842628
Molecular FormulaC16H19NS
Molecular Weight257.40 g/mol
Exact Mass257.12
IUPAC NameN-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCC(NC1CCCc2sccc21)c1ccccc1
InChIInChI=1S/C16H19NS/c1-12(13-6-3-2-4-7-13)17-15-8-5-9-16-14(15)10-11-18-16/h2-4,6-7,10-12,15,17H,5,8-9H2,1H3
InChIKeyMDDVJCMVYRVLOA-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81351326
N-[(1S)-1-(3-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81366575
N-[1-(3-fluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842289
N-[(1R)-1-pyridin-3-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81405087
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]phenol
CID 62841470
4-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethyl]benzonitrile
CID 62842476
N-[1-(1H-pyrazol-4-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 113349222
N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81376952
N-[1-(3,4-dimethylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841811
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840259
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-(3-phenylbutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476351

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 62842628) is N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CC(NC1CCCc2sccc21)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is MDDVJCMVYRVLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NS/c1-12(13-6-3-2-4-7-13)17-15-8-5-9-16-14(15)10-11-18-16/h2-4,6-7,10-12,15,17H,5,8-9H2,1H3.
What are the key properties of N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 257.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 62842628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).