2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine

C13H21NS — CID 66219102

IUPAC2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine
SMILESCc1cc(C)c(CSC(C)CN)c(C)c1
InChIInChI=1S/C13H21NS/c1-9-5-10(2)13(11(3)6-9)8-15-12(4)7-14/h5-6,12H,7-8,14H2,1-4H3
InChIKeyOVSWHAPMWKGYQG-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.19
Rot. Bonds4

About 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine

2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine (PubChem CID 66219102) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine
PubChem CID66219102
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine
SMILESCc1cc(C)c(CSC(C)CN)c(C)c1
InChIInChI=1S/C13H21NS/c1-9-5-10(2)13(11(3)6-9)8-15-12(4)7-14/h5-6,12H,7-8,14H2,1-4H3
InChIKeyOVSWHAPMWKGYQG-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-ol
CID 115659543
3-[(2,4,6-trimethylphenyl)methylsulfanyl]butan-1-ol
CID 66137036
3-[(2,4,6-trimethylphenyl)methylsulfanyl]butanoic acid
CID 66136495
2-[(2,4-dichloro-6-methyl-3-pyridinyl)methylsulfanyl]propan-1-amine
CID 66217376
2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]propan-1-ol
CID 112695464
(2R)-2-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 104868204
2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methylsulfanyl]propan-1-amine
CID 66219608
2-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 115198487
2-butyl-1,3,5-trimethylbenzene
CID 527298
2,3-bis(2,4,6-trimethylphenyl)propan-1-amine
CID 82141452
2-[(3-bromo-2,6-difluorophenyl)methylsulfanyl]propan-1-amine
CID 106264259
N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 65132056

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine (CID 66219102) is 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine is Cc1cc(C)c(CSC(C)CN)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine?
The InChIKey is OVSWHAPMWKGYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-9-5-10(2)13(11(3)6-9)8-15-12(4)7-14/h5-6,12H,7-8,14H2,1-4H3.
What are the key properties of 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine?
2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66219102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).