1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine

C16H27NS — CID 105109535

IUPAC1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H27NS/c1-5-9-17-16(8-10-18-4)12-15-7-6-13(2)14(3)11-15/h6-7,11,16-17H,5,8-10,12H2,1-4H3
InChIKeyRLSWSLYCENLKQL-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.97
Rot. Bonds8

About 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine

1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine (PubChem CID 105109535) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
PubChem CID105109535
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCSC)Cc1ccc(C)c(C)c1
InChIInChI=1S/C16H27NS/c1-5-9-17-16(8-10-18-4)12-15-7-6-13(2)14(3)11-15/h6-7,11,16-17H,5,8-10,12H2,1-4H3
InChIKeyRLSWSLYCENLKQL-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-iodophenyl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105151870
1-(3,4-dimethylphenyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 64565792
1-(3,4-dimethylphenyl)-4-ethyl-N-propylhexan-2-amine
CID 82923315
1-(3,4-dimethylphenyl)-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031493
1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
CID 62538478
1-(3,4-dimethylphenyl)-N-ethyloctan-2-amine
CID 63420104
N-ethyl-1-(3-methylphenyl)-4-methylsulfanylbutan-2-amine
CID 105091227
1-(3,4-dimethylphenyl)-N-ethyl-6-methylheptan-2-amine
CID 83160928
3-[(3,4-dimethylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 55187491
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658373
1-(3,4-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 55132596
1-(5-bromothiophen-2-yl)-4-methylsulfanyl-N-propylbutan-2-amine
CID 105134525

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine (CID 105109535) is 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine is CCCNC(CCSC)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine?
The InChIKey is RLSWSLYCENLKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-9-17-16(8-10-18-4)12-15-7-6-13(2)14(3)11-15/h6-7,11,16-17H,5,8-10,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine?
1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-methylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 105109535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).