N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine

C17H14N2S — CID 174726485

IUPACN-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine
SMILESc1cc2ccc(NCc3ccc4ccsc4c3)cc2[nH]1
InChIInChI=1S/C17H14N2S/c1-2-14-6-8-20-17(14)9-12(1)11-19-15-4-3-13-5-7-18-16(13)10-15/h1-10,18-19H,11H2
InChIKeyRHXPRUWPACQMMQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP4.99
Rot. Bonds3

About N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine

N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine (PubChem CID 174726485) has the molecular formula C17H14N2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine.

Molecular Properties

Compound NameN-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine
PubChem CID174726485
Molecular FormulaC17H14N2S
Molecular Weight278.38 g/mol
Exact Mass278.09
IUPAC NameN-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine
SMILESc1cc2ccc(NCc3ccc4ccsc4c3)cc2[nH]1
InChIInChI=1S/C17H14N2S/c1-2-14-6-8-20-17(14)9-12(1)11-19-15-4-3-13-5-7-18-16(13)10-15/h1-10,18-19H,11H2
InChIKeyRHXPRUWPACQMMQ-UHFFFAOYSA-N
XLogP4.99
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-6-ylmethyl)aniline
CID 29012556
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
N-(1H-indol-6-ylmethyl)-3-iodo-4-methylaniline
CID 102909680
1-N-(1H-indol-6-ylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 102911672
2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 102910164
4-(difluoromethoxy)-N-(1H-indol-6-ylmethyl)aniline
CID 102909269
N-(1H-indol-6-ylmethyl)-3-(trifluoromethyl)aniline
CID 102909173
3-chloro-N-(1H-indol-6-ylmethyl)-4-nitroaniline
CID 102911732
2-fluoro-5-(1H-indol-6-ylmethylamino)benzamide
CID 102909656
3-chloro-4-ethoxy-N-(1H-indol-6-ylmethyl)aniline
CID 102910079
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine?
The IUPAC name of N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine (CID 174726485) is N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine.
What is the SMILES notation for N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine?
The canonical SMILES for N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine is c1cc2ccc(NCc3ccc4ccsc4c3)cc2[nH]1.
What is the InChIKey of N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine?
The InChIKey is RHXPRUWPACQMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2S/c1-2-14-6-8-20-17(14)9-12(1)11-19-15-4-3-13-5-7-18-16(13)10-15/h1-10,18-19H,11H2.
What are the key properties of N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine?
N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine has a molecular weight of 278.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-6-ylmethyl)-1H-indol-6-amine is sourced from PubChem (CID 174726485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).