1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine

C12H19NS — CID 63806587

IUPAC1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(SC(C)(C)C)cc1
InChIInChI=1S/C12H19NS/c1-12(2,3)14-11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3
InChIKeyDMAWEVUNIUVXGH-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.30
Rot. Bonds3

About 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine

1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine (PubChem CID 63806587) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine
PubChem CID63806587
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(SC(C)(C)C)cc1
InChIInChI=1S/C12H19NS/c1-12(2,3)14-11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3
InChIKeyDMAWEVUNIUVXGH-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine (CID 63806587) is 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine is CNCc1ccc(SC(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine?
The InChIKey is DMAWEVUNIUVXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-12(2,3)14-11-7-5-10(6-8-11)9-13-4/h5-8,13H,9H2,1-4H3.
What are the key properties of 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine?
1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine has a molecular weight of 209.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylsulfanylphenyl)-N-methylmethanamine is sourced from PubChem (CID 63806587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).