N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine

C19H19NS — CID 43687824

IUPACN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine
SMILESc1ccc2c(c1)CCCCC2Nc1ccc2sccc2c1
InChIInChI=1S/C19H19NS/c1-3-7-17-14(5-1)6-2-4-8-18(17)20-16-9-10-19-15(13-16)11-12-21-19/h1,3,5,7,9-13,18,20H,2,4,6,8H2
InChIKeyWHFDHNOODXGJEG-UHFFFAOYSA-N
MW293.44 g/mol
LogP5.78
Rot. Bonds2

About N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine

N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine (PubChem CID 43687824) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine
PubChem CID43687824
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine
SMILESc1ccc2c(c1)CCCCC2Nc1ccc2sccc2c1
InChIInChI=1S/C19H19NS/c1-3-7-17-14(5-1)6-2-4-8-18(17)20-16-9-10-19-15(13-16)11-12-21-19/h1,3,5,7,9-13,18,20H,2,4,6,8H2
InChIKeyWHFDHNOODXGJEG-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.44
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzothiophen-5-yl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466145
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1-benzothiophen-5-amine
CID 43781963
N-(3-iodo-4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43716262
N-(3,4,5-trifluorophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63477361
N-(4-fluoro-3-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 114838359
2-fluoro-5-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)benzonitrile
CID 63476587
N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine
CID 43687891
N-(3-chloro-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43119146
N-(2,2-dimethyl-1,3-dihydroinden-5-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 146303538
N-(2,4,6-trimethylphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63448599
N-(2,4,6-tribromophenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63425782
3-N,3-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,3-diamine
CID 115375952

Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine (CID 43687824) is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine is c1ccc2c(c1)CCCCC2Nc1ccc2sccc2c1.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine?
The InChIKey is WHFDHNOODXGJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-3-7-17-14(5-1)6-2-4-8-18(17)20-16-9-10-19-15(13-16)11-12-21-19/h1,3,5,7,9-13,18,20H,2,4,6,8H2.
What are the key properties of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine?
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine has a molecular weight of 293.44 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43687824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).