2-[3-(methylaminomethyl)phenyl]sulfanylethanol

C10H15NOS — CID 66348986

IUPAC2-[3-(methylaminomethyl)phenyl]sulfanylethanol
SMILESCNCc1cccc(SCCO)c1
InChIInChI=1S/C10H15NOS/c1-11-8-9-3-2-4-10(7-9)13-6-5-12/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyPKVASCUOQOSISC-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.49
Rot. Bonds5

About 2-[3-(methylaminomethyl)phenyl]sulfanylethanol

2-[3-(methylaminomethyl)phenyl]sulfanylethanol (PubChem CID 66348986) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)phenyl]sulfanylethanol.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)phenyl]sulfanylethanol
PubChem CID66348986
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-[3-(methylaminomethyl)phenyl]sulfanylethanol
SMILESCNCc1cccc(SCCO)c1
InChIInChI=1S/C10H15NOS/c1-11-8-9-3-2-4-10(7-9)13-6-5-12/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyPKVASCUOQOSISC-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(methylaminomethyl)phenyl]sulfanylbutanenitrile
CID 66356239
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
1-(3-but-3-enylsulfanylphenyl)-N-methylmethanamine
CID 66347044
N-methyl-1-[3-[2-(trifluoromethoxy)ethylsulfanyl]phenyl]methanamine
CID 66348029
1-(3-but-2-enylsulfanylphenyl)-N-methylmethanamine
CID 77126312
5-[3-(ethylaminomethyl)phenyl]sulfanylpentan-1-ol
CID 66348613
N-[(3-propylsulfanylphenyl)methyl]ethanamine
CID 66347645
2-[3-(ethylaminomethyl)phenyl]sulfanylacetonitrile
CID 66347852
N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
CID 66349587
1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66356452
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
CID 103015658
4-[3-(propylaminomethyl)phenyl]sulfanylbutan-1-ol
CID 66347276

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)phenyl]sulfanylethanol?
The IUPAC name of 2-[3-(methylaminomethyl)phenyl]sulfanylethanol (CID 66348986) is 2-[3-(methylaminomethyl)phenyl]sulfanylethanol.
What is the SMILES notation for 2-[3-(methylaminomethyl)phenyl]sulfanylethanol?
The canonical SMILES for 2-[3-(methylaminomethyl)phenyl]sulfanylethanol is CNCc1cccc(SCCO)c1.
What is the InChIKey of 2-[3-(methylaminomethyl)phenyl]sulfanylethanol?
The InChIKey is PKVASCUOQOSISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-11-8-9-3-2-4-10(7-9)13-6-5-12/h2-4,7,11-12H,5-6,8H2,1H3.
What are the key properties of 2-[3-(methylaminomethyl)phenyl]sulfanylethanol?
2-[3-(methylaminomethyl)phenyl]sulfanylethanol has a molecular weight of 197.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)phenyl]sulfanylethanol is sourced from PubChem (CID 66348986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).