[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine

C13H14ClNOS — CID 82487477

IUPAC[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(Cl)cc1-c1c(CN)csc1C
InChIInChI=1S/C13H14ClNOS/c1-8-13(9(6-15)7-17-8)11-5-10(14)3-4-12(11)16-2/h3-5,7H,6,15H2,1-2H3
InChIKeyLOFJFNSKHVTUMP-UHFFFAOYSA-N
MW267.78 g/mol
LogP3.84
Rot. Bonds3

About [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine

[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine (PubChem CID 82487477) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
PubChem CID82487477
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
SMILESCOc1ccc(Cl)cc1-c1c(CN)csc1C
InChIInChI=1S/C13H14ClNOS/c1-8-13(9(6-15)7-17-8)11-5-10(14)3-4-12(11)16-2/h3-5,7H,6,15H2,1-2H3
InChIKeyLOFJFNSKHVTUMP-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxy-5-propan-2-ylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98019625
[4-(3-chloro-4-methoxyphenyl)-5-methylthiophen-3-yl]methanamine
CID 82487476
[4-(2,4-dimethoxy-3-methylphenyl)-5-methylthiophen-3-yl]methanamine
CID 98021222
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
[3-(5-chloro-2-methoxyphenyl)-1,2-thiazol-5-yl]methanamine
CID 82482117
1-(5-chloro-2-methoxyphenyl)-2,3,4,5,6-pentafluorobenzene
CID 134629660
[3-(2,5-dichlorophenyl)-4-methoxyphenyl]methanamine
CID 39233257
2-[3-(2,5-dimethoxyphenyl)-4-ethylthiophen-2-yl]ethanamine
CID 137354599
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
[2-(4-chlorophenyl)-4,5-dimethoxyphenyl]methanamine
CID 54911492
4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 82084785

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
The IUPAC name of [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine (CID 82487477) is [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine.
What is the SMILES notation for [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
The canonical SMILES for [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine is COc1ccc(Cl)cc1-c1c(CN)csc1C.
What is the InChIKey of [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
The InChIKey is LOFJFNSKHVTUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-8-13(9(6-15)7-17-8)11-5-10(14)3-4-12(11)16-2/h3-5,7H,6,15H2,1-2H3.
What are the key properties of [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine?
[4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine has a molecular weight of 267.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxyphenyl)-5-methylthiophen-3-yl]methanamine is sourced from PubChem (CID 82487477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).