N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine

C17H29NS — CID 107763634

IUPACN-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCC(C)CSCC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NS/c1-7-12(2)10-19-11-16(18-6)17-14(4)8-13(3)9-15(17)5/h8-9,12,16,18H,7,10-11H2,1-6H3
InChIKeyGAJWVEGYCJQGGV-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.65
Rot. Bonds7

About N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine

N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 107763634) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID107763634
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC NameN-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCCC(C)CSCC(NC)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H29NS/c1-7-12(2)10-19-11-16(18-6)17-14(4)8-13(3)9-15(17)5/h8-9,12,16,18H,7,10-11H2,1-6H3
InChIKeyGAJWVEGYCJQGGV-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylpropylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64610898
N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 43484222
2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881599
N-methyl-2-(oxolan-2-ylmethylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 106496962
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763776
1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763794
2-(2-bromophenyl)sulfanyl-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64614124
N'-ethyl-N-methyl-N'-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63467905
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
2-(4-ethylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 115803077
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106927657
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine (CID 107763634) is N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine is CCC(C)CSCC(NC)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is GAJWVEGYCJQGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-7-12(2)10-19-11-16(18-6)17-14(4)8-13(3)9-15(17)5/h8-9,12,16,18H,7,10-11H2,1-6H3.
What are the key properties of N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine?
N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 279.49 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbutylsulfanyl)-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 107763634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).