1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine

C16H19NOS — CID 66347822

IUPAC1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(SCc2ccccc2OC)c1
InChIInChI=1S/C16H19NOS/c1-17-11-13-6-5-8-15(10-13)19-12-14-7-3-4-9-16(14)18-2/h3-10,17H,11-12H2,1-2H3
InChIKeyUIIUWQVPMNOHRQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.71
Rot. Bonds6

About 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine

1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine (PubChem CID 66347822) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
PubChem CID66347822
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(SCc2ccccc2OC)c1
InChIInChI=1S/C16H19NOS/c1-17-11-13-6-5-8-15(10-13)19-12-14-7-3-4-9-16(14)18-2/h3-10,17H,11-12H2,1-2H3
InChIKeyUIIUWQVPMNOHRQ-UHFFFAOYSA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-methoxy-3-(phenylsulfanylmethyl)phenyl]-N-methylmethanamine
CID 64620569
1-[3-[[(2-methoxyphenyl)methylamino]methyl]phenyl]-N-methylmethanamine
CID 174192701
1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66356452
1-[3-(benzylsulfanylmethyl)-4-methoxyphenyl]-N-methylmethanamine
CID 64620227
1-[3-[(2,5-difluorophenyl)sulfanylmethyl]-4-methoxyphenyl]-N-methylmethanamine
CID 64648679
N-methyl-1-[3-(pyridin-3-ylmethylsulfanyl)phenyl]methanamine
CID 66346653
1-[4-methoxy-3-(2-phenylsulfanylethoxy)phenyl]-N-methylmethanamine
CID 79214023
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
CID 66349587
N-[[3-[(3-chlorophenyl)sulfanylmethyl]-4-methoxyphenyl]methyl]ethanamine
CID 64633313
4-[3-(methylaminomethyl)phenyl]sulfanylbutanenitrile
CID 66356239

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine (CID 66347822) is 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine is CNCc1cccc(SCc2ccccc2OC)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is UIIUWQVPMNOHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-17-11-13-6-5-8-15(10-13)19-12-14-7-3-4-9-16(14)18-2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine?
1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenyl)methylsulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 66347822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).