1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine

C16H19NOS — CID 63806472

IUPAC1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2cccc(OC)c2)c(C)c1
InChIInChI=1S/C16H19NOS/c1-12-9-13(11-17-2)7-8-16(12)19-15-6-4-5-14(10-15)18-3/h4-10,17H,11H2,1-3H3
InChIKeyYJHFDMWCPCSYHJ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine

1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine (PubChem CID 63806472) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine
PubChem CID63806472
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(Sc2cccc(OC)c2)c(C)c1
InChIInChI=1S/C16H19NOS/c1-12-9-13(11-17-2)7-8-16(12)19-15-6-4-5-14(10-15)18-3/h4-10,17H,11H2,1-3H3
InChIKeyYJHFDMWCPCSYHJ-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(3-methoxyphenyl)-N-methylmethanamine
CID 142908093
N-[[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methyl]propan-2-amine
CID 63806495
[4-(4-methoxyphenyl)sulfanyl-3-methylphenyl]methanol
CID 63814136
N-[(3-methyl-4-phenylsulfanylphenyl)methyl]propan-2-amine
CID 63805209
2-methoxy-4-(3-methoxyphenyl)sulfanyl-1-methylbenzene
CID 18738972
methyl 2-[2-methyl-4-(methylaminomethyl)phenyl]sulfanylacetate
CID 63808376
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 63805075
N-methyl-1-[3-methyl-4-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805331
N-[[2-(3-methoxyphenyl)sulfanylphenyl]methyl]propan-1-amine
CID 63805953
N-methyl-1-[3-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]methanamine
CID 63807547
methyl 2-[1-[[2-methyl-4-(methylaminomethyl)phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778340
N-[[6-(3-methoxyphenyl)sulfanyl-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 80628623

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine (CID 63806472) is 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine is CNCc1ccc(Sc2cccc(OC)c2)c(C)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine?
The InChIKey is YJHFDMWCPCSYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-12-9-13(11-17-2)7-8-16(12)19-15-6-4-5-14(10-15)18-3/h4-10,17H,11H2,1-3H3.
What are the key properties of 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine?
1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine has a molecular weight of 273.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)sulfanyl-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 63806472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).