N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C18H20N2S — CID 107235644

IUPACN-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCn1cc(CNC2CCCc3sccc32)c2ccccc21
InChIInChI=1S/C18H20N2S/c1-20-12-13(14-5-2-3-7-17(14)20)11-19-16-6-4-8-18-15(16)9-10-21-18/h2-3,5,7,9-10,12,16,19H,4,6,8,11H2,1H3
InChIKeyJRLJNICFSDWHTJ-UHFFFAOYSA-N
MW296.44 g/mol
LogP4.41
Rot. Bonds3

About N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 107235644) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID107235644
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCn1cc(CNC2CCCc3sccc32)c2ccccc21
InChIInChI=1S/C18H20N2S/c1-20-12-13(14-5-2-3-7-17(14)20)11-19-16-6-4-8-18-15(16)9-10-21-18/h2-3,5,7,9-10,12,16,19H,4,6,8,11H2,1H3
InChIKeyJRLJNICFSDWHTJ-UHFFFAOYSA-N
XLogP4.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylindol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107234743
3-[(1-methylindol-3-yl)methylamino]piperidin-2-one
CID 107235592
N-[(2,6-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841812
N-[(2,3,4-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 119165124
N-(3-phenylbutyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476351
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
2-fluoro-3-[(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)methyl]benzonitrile
CID 107114570
N-(3-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122196
N-[(3,5-dichlorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840612
2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 107235903
N-[(5-methyl-2-pyridinyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 81312736

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 107235644) is N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is Cn1cc(CNC2CCCc3sccc32)c2ccccc21.
What is the InChIKey of N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is JRLJNICFSDWHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-20-12-13(14-5-2-3-7-17(14)20)11-19-16-6-4-8-18-15(16)9-10-21-18/h2-3,5,7,9-10,12,16,19H,4,6,8,11H2,1H3.
What are the key properties of N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 296.44 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylindol-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 107235644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).