N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine

C17H17NOS — CID 60704248

IUPACN-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2csc3ccccc23)cc1
InChIInChI=1S/C17H17NOS/c1-19-15-8-6-13(7-9-15)10-18-11-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,18H,10-11H2,1H3
InChIKeyYJAGEERBHNGAQN-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.20
Rot. Bonds5

About N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine

N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine (PubChem CID 60704248) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
PubChem CID60704248
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(CNCc2csc3ccccc23)cc1
InChIInChI=1S/C17H17NOS/c1-19-15-8-6-13(7-9-15)10-18-11-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,18H,10-11H2,1H3
InChIKeyYJAGEERBHNGAQN-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-benzothiophen-3-ylmethylamino)methyl]-N,N-dimethylaniline
CID 60704952
1-(1-benzothiophen-3-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 63738831
N-(1-benzothiophen-3-ylmethyl)-4-methoxy-2-methylaniline
CID 62871686
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-(1-benzothiophen-3-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 60777708
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134
2-(1-benzothiophen-3-yl)-1-(4-methoxyphenyl)ethanamine
CID 63738834
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
1-(1-benzothiophen-3-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719584

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine (CID 60704248) is N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine is COc1ccc(CNCc2csc3ccccc23)cc1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine?
The InChIKey is YJAGEERBHNGAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-19-15-8-6-13(7-9-15)10-18-11-14-12-20-17-5-3-2-4-16(14)17/h2-9,12,18H,10-11H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine?
N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine has a molecular weight of 283.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 60704248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).