N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine

C16H27NS — CID 65132056

IUPACN-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCNC(CSC(C)C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NS/c1-11(2)18-10-15(17-6)9-16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyXOAKXTWWKWTVBW-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.88
Rot. Bonds6

About N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine

N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine (PubChem CID 65132056) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
PubChem CID65132056
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine
SMILESCNC(CSC(C)C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NS/c1-11(2)18-10-15(17-6)9-16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3
InChIKeyXOAKXTWWKWTVBW-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 79615967
5-methoxy-N-methyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 65092092
4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 103025022
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
1-(3,5-dimethylphenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828652
1-(2,5-dichlorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65321733
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132239
1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131604
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65132227

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The IUPAC name of N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine (CID 65132056) is N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The canonical SMILES for N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine is CNC(CSC(C)C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
The InChIKey is XOAKXTWWKWTVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-11(2)18-10-15(17-6)9-16-13(4)7-12(3)8-14(16)5/h7-8,11,15,17H,9-10H2,1-6H3.
What are the key properties of N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine?
N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-propan-2-ylsulfanyl-3-(2,4,6-trimethylphenyl)propan-2-amine is sourced from PubChem (CID 65132056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).