N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine

C16H15NOS — CID 43687708

IUPACN-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
SMILESCOc1ccccc1CNc1ccc2sccc2c1
InChIInChI=1S/C16H15NOS/c1-18-15-5-3-2-4-13(15)11-17-14-6-7-16-12(10-14)8-9-19-16/h2-10,17H,11H2,1H3
InChIKeyNRSUNURBXUVNCQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.52
Rot. Bonds4

About N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine

N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine (PubChem CID 43687708) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
PubChem CID43687708
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine
SMILESCOc1ccccc1CNc1ccc2sccc2c1
InChIInChI=1S/C16H15NOS/c1-18-15-5-3-2-4-13(15)11-17-14-6-7-16-12(10-14)8-9-19-16/h2-10,17H,11H2,1H3
InChIKeyNRSUNURBXUVNCQ-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 43687874
N-[(2-prop-2-enoxyphenyl)methyl]-1-benzothiophen-5-amine
CID 43781925
2-[(1-benzothiophen-5-ylamino)methyl]-5-methoxyphenol
CID 61261763
N-[(2,4,5-trimethylphenyl)methyl]-1-benzothiophen-5-amine
CID 43781960
N-[(5-fluoro-2-methylphenyl)methyl]-1-benzothiophen-5-amine
CID 105371129
2-[(1-benzothiophen-5-ylamino)methyl]-4-methoxyphenol
CID 43687645
2-[(1-benzothiophen-5-ylamino)methyl]-6-bromophenol
CID 61390955
N-[(2-bromo-5-fluorophenyl)methyl]-1-benzothiophen-5-amine
CID 65473524
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-benzothiophen-5-amine
CID 43687800
N-[(1-methylindol-3-yl)methyl]-1-benzothiophen-5-amine
CID 107235018
N-(1H-indol-3-ylmethyl)-1-benzothiophen-5-amine
CID 60981068
N-(thiophen-2-ylmethyl)-1-benzothiophen-5-amine
CID 43687735

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine (CID 43687708) is N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine is COc1ccccc1CNc1ccc2sccc2c1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine?
The InChIKey is NRSUNURBXUVNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-18-15-5-3-2-4-13(15)11-17-14-6-7-16-12(10-14)8-9-19-16/h2-10,17H,11H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine?
N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine has a molecular weight of 269.37 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-benzothiophen-5-amine is sourced from PubChem (CID 43687708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).