[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine

C14H17NO2S — CID 80729570

IUPAC[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCOc1ccccc1OCc1cc(CN)sc1C
InChIInChI=1S/C14H17NO2S/c1-10-11(7-12(8-15)18-10)9-17-14-6-4-3-5-13(14)16-2/h3-7H,8-9,15H2,1-2H3
InChIKeyRFWJJMCFUNMKEY-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.10
Rot. Bonds5

About [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 80729570) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID80729570
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCOc1ccccc1OCc1cc(CN)sc1C
InChIInChI=1S/C14H17NO2S/c1-10-11(7-12(8-15)18-10)9-17-14-6-4-3-5-13(14)16-2/h3-7H,8-9,15H2,1-2H3
InChIKeyRFWJJMCFUNMKEY-UHFFFAOYSA-N
XLogP3.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(2,6-dimethoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728963
N-[[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80729822
[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728704
[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733492
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729482
[4-[(3-ethylphenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729897
[4-[(3,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80734356
[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733329
1-[4-[(2-methoxy-4-methylphenoxy)methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80729265
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[4-[(6-bromonaphthalen-2-yl)oxymethyl]-5-methylthiophen-2-yl]methanamine
CID 80723273

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine (CID 80729570) is [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine is COc1ccccc1OCc1cc(CN)sc1C.
What is the InChIKey of [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is RFWJJMCFUNMKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-10-11(7-12(8-15)18-10)9-17-14-6-4-3-5-13(14)16-2/h3-7H,8-9,15H2,1-2H3.
What are the key properties of [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 263.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methoxyphenoxy)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 80729570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).