[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine

C16H14ClNOS — CID 63743324

IUPAC[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCc1csc2ccccc12
InChIInChI=1S/C16H14ClNOS/c17-13-5-6-15(11(7-13)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,10H,8-9,18H2
InChIKeyYXWILPAGNFPLRE-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.59
Rot. Bonds4

About [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine

[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine (PubChem CID 63743324) has the molecular formula C16H14ClNOS and a molecular weight of 303.81 g/mol. Its IUPAC name is [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
PubChem CID63743324
Molecular FormulaC16H14ClNOS
Molecular Weight303.81 g/mol
Exact Mass303.05
IUPAC Name[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine
SMILESNCc1cc(Cl)ccc1OCc1csc2ccccc12
InChIInChI=1S/C16H14ClNOS/c17-13-5-6-15(11(7-13)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,10H,8-9,18H2
InChIKeyYXWILPAGNFPLRE-UHFFFAOYSA-N
XLogP4.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-1-benzothiophene
CID 63739324
2-(1-benzothiophen-3-ylmethoxy)-4-chlorobenzenecarbothioamide
CID 114323220
2-(1-benzothiophen-3-ylmethoxy)-4-chlorobenzoic acid
CID 63744829
4-(1-benzothiophen-3-ylmethoxy)-3-chlorobenzaldehyde
CID 63743151
4-(1-benzothiophen-3-ylmethoxy)-3-methoxyaniline
CID 63744670
[2-(1-benzothiophen-3-ylmethoxy)-3-methoxyphenyl]methanamine
CID 63743487
2-[[2-(aminomethyl)-4-chlorophenoxy]methyl]benzonitrile
CID 60880021
3-[(2-methoxyphenoxy)methyl]-1-benzothiophene
CID 117170894
3-[(2-bromo-4-methylphenoxy)methyl]-1-benzothiophene
CID 63742992
4-(1-benzothiophen-3-ylmethoxy)-2-chloroaniline
CID 55230322
4-(1-benzothiophen-3-ylmethoxy)-3-fluorobenzaldehyde
CID 107689565
5-amino-2-(1-benzothiophen-3-ylmethoxy)benzonitrile
CID 63744509

Frequently Asked Questions

What is the IUPAC name of [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine?
The IUPAC name of [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine (CID 63743324) is [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine.
What is the SMILES notation for [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine?
The canonical SMILES for [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine is NCc1cc(Cl)ccc1OCc1csc2ccccc12.
What is the InChIKey of [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine?
The InChIKey is YXWILPAGNFPLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNOS/c17-13-5-6-15(11(7-13)8-18)19-9-12-10-20-16-4-2-1-3-14(12)16/h1-7,10H,8-9,18H2.
What are the key properties of [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine?
[2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine has a molecular weight of 303.81 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzothiophen-3-ylmethoxy)-5-chlorophenyl]methanamine is sourced from PubChem (CID 63743324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).