1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine

C12H19NS — CID 82283991

IUPAC1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine
SMILESCc1cc(C)c(SCC(C)N)c(C)c1
InChIInChI=1S/C12H19NS/c1-8-5-9(2)12(10(3)6-8)14-7-11(4)13/h5-6,11H,7,13H2,1-4H3
InChIKeyNDGHHGRSPFYNTF-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.05
Rot. Bonds3

About 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine

1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine (PubChem CID 82283991) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine
PubChem CID82283991
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine
SMILESCc1cc(C)c(SCC(C)N)c(C)c1
InChIInChI=1S/C12H19NS/c1-8-5-9(2)12(10(3)6-8)14-7-11(4)13/h5-6,11H,7,13H2,1-4H3
InChIKeyNDGHHGRSPFYNTF-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-amino-1-(4-butylthiophenyl)-propane
CID 23661626
1-(4-Methylsulfanylphenyl)butan-2-amine
CID 43565977
2-Amino-1-(4-ethylthiophenyl)propane
CID 44399737
(S)-2-amino-1-(4-ethylthiophenyl)-propane
CID 44424447
(S)-2-amino-1-(4-propylthiophenyl)-propane
CID 44424448
2-Amino-1-(4-ethylthiophenyl)butane
CID 44613455
2-(4-Isobutylsulfanyl-phenyl)-1-methyl-ethylamine
CID 44399680
1-(4-Tert-butylsulfanylphenyl)propan-2-amine
CID 44613327
(1R)-2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 44593075
(1S)-2-(2,6-dimethylphenyl)sulfanyl-1-phenylethanamine
CID 44593076
(2R)-3-(2,6-dimethylphenyl)sulfanyl-2-methylpropan-1-amine
CID 44593077
(2S)-3-(2,6-dimethylphenyl)sulfanyl-2-methylpropan-1-amine
CID 44593078

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine (CID 82283991) is 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine is Cc1cc(C)c(SCC(C)N)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine?
The InChIKey is NDGHHGRSPFYNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-8-5-9(2)12(10(3)6-8)14-7-11(4)13/h5-6,11H,7,13H2,1-4H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine?
1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine has a molecular weight of 209.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 82283991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).