2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine

C16H16N2S — CID 146332945

IUPAC2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine
SMILESCc1c(CNc2ccccc2)sc2cccc(N)c12
InChIInChI=1S/C16H16N2S/c1-11-15(10-18-12-6-3-2-4-7-12)19-14-9-5-8-13(17)16(11)14/h2-9,18H,10,17H2,1H3
InChIKeyUWXHZNOEXBLXRU-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.40
Rot. Bonds3

About 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine

2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine (PubChem CID 146332945) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine.

Molecular Properties

Compound Name2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine
PubChem CID146332945
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine
SMILESCc1c(CNc2ccccc2)sc2cccc(N)c12
InChIInChI=1S/C16H16N2S/c1-11-15(10-18-12-6-3-2-4-7-12)19-14-9-5-8-13(17)16(11)14/h2-9,18H,10,17H2,1H3
InChIKeyUWXHZNOEXBLXRU-UHFFFAOYSA-N
XLogP4.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
CID 88517859
2-iodo-3-methyl-1-benzothiophen-4-amine
CID 130788970
N-[(2,3,5,6-tetramethylphenyl)methyl]aniline
CID 82129879
N-[(5-phenylthiophen-2-yl)methyl]aniline
CID 43756087
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-methylsulfanylaniline
CID 60702970
ethene;N-[(3-methylphenyl)methyl]aniline;molecular hydrogen
CID 168878317
6-phenyldibenzothiophen-1-amine
CID 154950359
N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
CID 155545508
3-methylsulfanyl-1-benzothiophene-2,4-diamine
CID 131145947
N-[(3,5-difluoro-4-methylphenyl)methyl]aniline
CID 123267459
3-(anilinomethyl)naphthalen-2-amine
CID 61214837
4-(anilinomethyl)aniline;dihydrochloride
CID 517605

Frequently Asked Questions

What is the IUPAC name of 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine?
The IUPAC name of 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine (CID 146332945) is 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine.
What is the SMILES notation for 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine?
The canonical SMILES for 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine is Cc1c(CNc2ccccc2)sc2cccc(N)c12.
What is the InChIKey of 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine?
The InChIKey is UWXHZNOEXBLXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-15(10-18-12-6-3-2-4-7-12)19-14-9-5-8-13(17)16(11)14/h2-9,18H,10,17H2,1H3.
What are the key properties of 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine?
2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine has a molecular weight of 268.38 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anilinomethyl)-3-methyl-1-benzothiophen-4-amine is sourced from PubChem (CID 146332945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).