N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine

C17H29NOS — CID 64651316

IUPACN-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)(C)C)c1ccc(C)cc1C
InChIInChI=1S/C17H29NOS/c1-7-10-18-16(12-20(19)17(4,5)6)15-9-8-13(2)11-14(15)3/h8-9,11,16,18H,7,10,12H2,1-6H3
InChIKeyTWUZKBACIVTTID-UHFFFAOYSA-N
MW295.49 g/mol
LogP3.89
Rot. Bonds6

About N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine

N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine (PubChem CID 64651316) has the molecular formula C17H29NOS and a molecular weight of 295.49 g/mol. Its IUPAC name is N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
PubChem CID64651316
Molecular FormulaC17H29NOS
Molecular Weight295.49 g/mol
Exact Mass295.20
IUPAC NameN-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)C(C)(C)C)c1ccc(C)cc1C
InChIInChI=1S/C17H29NOS/c1-7-10-18-16(12-20(19)17(4,5)6)15-9-8-13(2)11-14(15)3/h8-9,11,16,18H,7,10,12H2,1-6H3
InChIKeyTWUZKBACIVTTID-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-butan-2-ylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651695
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutan-2-ylsulfinyl)ethyl]propan-1-amine
CID 107759461
1-(2,4-dimethylphenyl)-3-methyl-N-propylhexan-1-amine
CID 115845635
1-(2,4-dimethylphenyl)-N'-methyl-N'-(2-methylbutan-2-yl)-N-propylethane-1,2-diamine
CID 63982501
1-(2,4-dimethylphenyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031475
1-(2,4-dimethylphenyl)-N-propylbut-3-yn-1-amine
CID 114977787
ethyl 3-(2,4-dimethylphenyl)-3-(propylamino)propanoate
CID 65235879
1-(2,4-dimethylphenyl)-3-methylsulfonyl-N-propylpropan-1-amine
CID 115848588
2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
1-(2,4-dimethylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028958
N-[1-(2,4-dimethylphenyl)-2-phenoxyethyl]propan-1-amine
CID 63416221
N-[1-(2,4-dimethylphenyl)-2-(3-methylbutoxy)ethyl]propan-1-amine
CID 63474013

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine (CID 64651316) is N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine is CCCNC(CS(=O)C(C)(C)C)c1ccc(C)cc1C.
What is the InChIKey of N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
The InChIKey is TWUZKBACIVTTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NOS/c1-7-10-18-16(12-20(19)17(4,5)6)15-9-8-13(2)11-14(15)3/h8-9,11,16,18H,7,10,12H2,1-6H3.
What are the key properties of N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine?
N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine has a molecular weight of 295.49 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64651316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).