1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine

C14H23NOS — CID 103037423

IUPAC1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(SCCC(C)(C)OC)cc1
InChIInChI=1S/C14H23NOS/c1-14(2,16-4)9-10-17-13-7-5-12(6-8-13)11-15-3/h5-8,15H,9-11H2,1-4H3
InChIKeyZLNCXJSZCDLODQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.31
Rot. Bonds7

About 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine

1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 103037423) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine
PubChem CID103037423
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1ccc(SCCC(C)(C)OC)cc1
InChIInChI=1S/C14H23NOS/c1-14(2,16-4)9-10-17-13-7-5-12(6-8-13)11-15-3/h5-8,15H,9-11H2,1-4H3
InChIKeyZLNCXJSZCDLODQ-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-3-methylbutyl)sulfanylaniline
CID 103033979
1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine
CID 63806587
N-[[4-(3,3-dimethylbutylsulfanyl)phenyl]methyl]propan-1-amine
CID 113384839
methyl 2-[4-(methylaminomethyl)phenyl]sulfanylacetate
CID 63809087
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
2-methoxy-2-methyl-N-[(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115656215
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
CID 63804855
1-[3-(3-methoxy-3-methylbutoxy)-4-nitrophenyl]-N-methylmethanamine
CID 103032761
[2-methyl-4-[4-(3-methyl-3-phosphonooxybutyl)sulfanylphenyl]sulfanylbutan-2-yl] dihydrogen phosphate
CID 10140300
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
N-methyl-1-[4-(2-methylhydrazinyl)sulfanylphenyl]methanamine
CID 142522590
1-tert-butyl-4-[2-(4-tert-butylphenyl)sulfanylethylsulfanyl]benzene
CID 12781251

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine (CID 103037423) is 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine is CNCc1ccc(SCCC(C)(C)OC)cc1.
What is the InChIKey of 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is ZLNCXJSZCDLODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-14(2,16-4)9-10-17-13-7-5-12(6-8-13)11-15-3/h5-8,15H,9-11H2,1-4H3.
What are the key properties of 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine?
1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxy-3-methylbutyl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 103037423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).