1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine

C16H27NS — CID 65132105

IUPAC1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCC(C)SCC(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NS/c1-12(2)18-11-15(17)10-13-6-8-14(9-7-13)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyUJYISCNFNRFXGL-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.00
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine

1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65132105) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65132105
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCC(C)SCC(N)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NS/c1-12(2)18-11-15(17)10-13-6-8-14(9-7-13)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3
InChIKeyUJYISCNFNRFXGL-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)octan-2-amine
CID 115842872
1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131827
1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025092
3-[(4-tert-butylphenyl)methyl]-4-methylpentan-2-amine
CID 63401736
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
CID 174822105
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
1-(4-tert-butylphenyl)-3-cyclobutylpropan-2-amine
CID 103168467
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-amine
CID 104736345
4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
1-methylsulfanyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62691729
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
1-tert-butyl-4-(2-methylbutyl)benzene;ethane
CID 156874515

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine (CID 65132105) is 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine is CC(C)SCC(N)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is UJYISCNFNRFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-12(2)18-11-15(17)10-13-6-8-14(9-7-13)16(3,4)5/h6-9,12,15H,10-11,17H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65132105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).