1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine

C19H33NS — CID 65133115

IUPAC1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NS/c1-8-20-17(14-21-19(5,6)7)13-15-9-11-16(12-10-15)18(2,3)4/h9-12,17,20H,8,13-14H2,1-7H3
InChIKeyPVJXVXKQSWOSLF-UHFFFAOYSA-N
MW307.55 g/mol
LogP5.04
Rot. Bonds6

About 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine

1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine (PubChem CID 65133115) has the molecular formula C19H33NS and a molecular weight of 307.55 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
PubChem CID65133115
Molecular FormulaC19H33NS
Molecular Weight307.55 g/mol
Exact Mass307.23
IUPAC Name1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H33NS/c1-8-20-17(14-21-19(5,6)7)13-15-9-11-16(12-10-15)18(2,3)4/h9-12,17,20H,8,13-14H2,1-7H3
InChIKeyPVJXVXKQSWOSLF-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 55108520
1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135023
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 65133020
1-(4-tert-butylphenyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103168468
1-tert-butylsulfanyl-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65132452
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
1-(3-bromo-5-fluorophenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 79709297
ethyl 4-(4-tert-butylphenyl)-3-(ethylamino)butanoate
CID 82351797
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
1-tert-butylsulfanyl-N-methyl-3-phenylpropan-2-amine
CID 65132386
1-tert-butylsulfanyl-3-(3,4-dichlorophenyl)-N-propylpropan-2-amine
CID 65132522
[1-tert-butylsulfanyl-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105226349

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine (CID 65133115) is 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine is CCNC(CSC(C)(C)C)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The InChIKey is PVJXVXKQSWOSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NS/c1-8-20-17(14-21-19(5,6)7)13-15-9-11-16(12-10-15)18(2,3)4/h9-12,17,20H,8,13-14H2,1-7H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine has a molecular weight of 307.55 g/mol, XLogP of 5.04, 6 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-tert-butylsulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 65133115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).