2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine

C16H27NS — CID 55195921

IUPAC2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine
SMILESCC(C)CNCC(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NS/c1-12(2)10-17-11-14(5)18-16-8-6-15(7-9-16)13(3)4/h6-9,12-14,17H,10-11H2,1-5H3
InChIKeySFPUNTWXWSTBQB-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.54
Rot. Bonds7

About 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine

2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine (PubChem CID 55195921) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine
PubChem CID55195921
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine
SMILESCC(C)CNCC(C)Sc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27NS/c1-12(2)10-17-11-14(5)18-16-8-6-15(7-9-16)13(3)4/h6-9,12-14,17H,10-11H2,1-5H3
InChIKeySFPUNTWXWSTBQB-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylethyl]propan-1-amine
CID 62582800
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[2-(4-fluorophenyl)sulfanylpropyl]-3-methylbutan-1-amine
CID 62583354
2-(4-methylphenyl)sulfanyl-N-propylpropan-1-amine
CID 62584456
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
N'-hydroxy-3-(4-propan-2-ylphenyl)sulfanylbutanimidamide
CID 54944999
2-methyl-N-(2-pyrimidin-4-ylsulfanylpropyl)propan-1-amine
CID 63697500
N-[2,2-difluoro-2-(4-propan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 83108347
2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol
CID 117034672
2-(ethylamino)-2-methyl-4-(4-propan-2-ylphenyl)sulfanylpentan-1-ol
CID 64807009
CID 175939227
CID 175939227
2-(4-tert-butylphenyl)sulfanyl-N-prop-2-enylpropan-1-amine
CID 55092390

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine (CID 55195921) is 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine is CC(C)CNCC(C)Sc1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine?
The InChIKey is SFPUNTWXWSTBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-12(2)10-17-11-14(5)18-16-8-6-15(7-9-16)13(3)4/h6-9,12-14,17H,10-11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine?
2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propan-2-ylphenyl)sulfanylpropyl]propan-1-amine is sourced from PubChem (CID 55195921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).