1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine

C11H17NOS — CID 64626883

IUPAC1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CSC
InChIInChI=1S/C11H17NOS/c1-8(12)9-4-5-11(13-2)10(6-9)7-14-3/h4-6,8H,7,12H2,1-3H3
InChIKeyZZQMTMMBCJTANR-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.58
Rot. Bonds4

About 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine

1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine (PubChem CID 64626883) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
PubChem CID64626883
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
SMILESCOc1ccc(C(C)N)cc1CSC
InChIInChI=1S/C11H17NOS/c1-8(12)9-4-5-11(13-2)10(6-9)7-14-3/h4-6,8H,7,12H2,1-3H3
InChIKeyZZQMTMMBCJTANR-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2,5-difluorophenyl)sulfanylmethyl]-4-methoxyphenyl]ethanamine
CID 64649644
1-[3-(tert-butylsulfinylmethyl)-4-methoxyphenyl]ethanamine
CID 64653784
1-[4-methoxy-3-(3-methylbutan-2-ylsulfonylmethyl)phenyl]ethanamine
CID 107759221
1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]ethanamine
CID 54936626
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 60861216
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
1-[3-[(3,4-dimethylphenoxy)methyl]-4-methoxyphenyl]ethanamine
CID 60860414
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
5-[(1S)-1-aminoethyl]-2-methoxyphenol
CID 55253033
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1S)-1-(3-iodo-4-methoxyphenyl)ethanamine
CID 130647745

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine (CID 64626883) is 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine is COc1ccc(C(C)N)cc1CSC.
What is the InChIKey of 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine?
The InChIKey is ZZQMTMMBCJTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(12)9-4-5-11(13-2)10(6-9)7-14-3/h4-6,8H,7,12H2,1-3H3.
What are the key properties of 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine?
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine is sourced from PubChem (CID 64626883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).