N-methyl-N-phenyl-1-benzothiophen-3-amine

C15H13NS — CID 12062347

IUPACN-methyl-N-phenyl-1-benzothiophen-3-amine
SMILESCN(c1ccccc1)c1csc2ccccc12
InChIInChI=1S/C15H13NS/c1-16(12-7-3-2-4-8-12)14-11-17-15-10-6-5-9-13(14)15/h2-11H,1H3
InChIKeyCATAPBURQMQRBR-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.67
Rot. Bonds2

About N-methyl-N-phenyl-1-benzothiophen-3-amine

N-methyl-N-phenyl-1-benzothiophen-3-amine (PubChem CID 12062347) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-methyl-N-phenyl-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-1-benzothiophen-3-amine
PubChem CID12062347
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC NameN-methyl-N-phenyl-1-benzothiophen-3-amine
SMILESCN(c1ccccc1)c1csc2ccccc12
InChIInChI=1S/C15H13NS/c1-16(12-7-3-2-4-8-12)14-11-17-15-10-6-5-9-13(14)15/h2-11H,1H3
InChIKeyCATAPBURQMQRBR-UHFFFAOYSA-N
XLogP4.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-Benzothiophen-3-yl)acetamide
CID 746770
3-methyl-N-phenyl-1-benzothiophene-2-carbothioamide
CID 2824353
Morpholine, 4-benzo[b]thien-3-yl-
CID 12190199
N3-(4-Fluorophenyl) benzo[b] thiophene-2,3-diamine
CID 86580676
N3-(3-Fluorophenyl) benzo[b] thiophene-2,3-diamine
CID 86582635
N3-phenylbenzo[b]thiophene-2,3-diamine
CID 86709236
1-(1-Benzothiophen-3-yl)piperidine
CID 281089
1-(2-Phenyl-1-benzothiophen-3-yl)piperidine
CID 11208609
N-methyl-N-phenyldibenzothiophen-2-amine
CID 90181893
N-[3,5-bis(trifluoromethyl)phenyl]-1-benzothiophen-3-amine
CID 156784972
3-N-methyl-3-N-phenyl-1-benzothiophene-2,3-diamine;hydrochloride
CID 117698391
N3-(2-Ethylphenyl) benzo[b] thiophene-2,3-diamine hydrochloride
CID 117698826

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1-benzothiophen-3-amine?
The IUPAC name of N-methyl-N-phenyl-1-benzothiophen-3-amine (CID 12062347) is N-methyl-N-phenyl-1-benzothiophen-3-amine.
What is the SMILES notation for N-methyl-N-phenyl-1-benzothiophen-3-amine?
The canonical SMILES for N-methyl-N-phenyl-1-benzothiophen-3-amine is CN(c1ccccc1)c1csc2ccccc12.
What is the InChIKey of N-methyl-N-phenyl-1-benzothiophen-3-amine?
The InChIKey is CATAPBURQMQRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-16(12-7-3-2-4-8-12)14-11-17-15-10-6-5-9-13(14)15/h2-11H,1H3.
What are the key properties of N-methyl-N-phenyl-1-benzothiophen-3-amine?
N-methyl-N-phenyl-1-benzothiophen-3-amine has a molecular weight of 239.34 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1-benzothiophen-3-amine is sourced from PubChem (CID 12062347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).