1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine

C17H29NS — CID 65133020

IUPAC1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NS/c1-6-11-18-16(13-19-17(3,4)5)12-15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyNHQZBJGXXZGEMG-UHFFFAOYSA-N
MW279.49 g/mol
LogP4.44
Rot. Bonds7

About 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine

1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine (PubChem CID 65133020) has the molecular formula C17H29NS and a molecular weight of 279.49 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
PubChem CID65133020
Molecular FormulaC17H29NS
Molecular Weight279.49 g/mol
Exact Mass279.20
IUPAC Name1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(CSC(C)(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NS/c1-6-11-18-16(13-19-17(3,4)5)12-15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyNHQZBJGXXZGEMG-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylsulfanyl-3-(3,4-dichlorophenyl)-N-propylpropan-2-amine
CID 65132522
1-tert-butylsulfanyl-3-(3,5-difluorophenyl)-N-propylpropan-2-amine
CID 105406268
1-(4-tert-butylphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
CID 65133115
1-tert-butylsulfanyl-3-(2,3-dichlorophenyl)-N-propylpropan-2-amine
CID 107308668
1-(4-methylphenyl)-N-propylhept-5-yn-2-amine
CID 104805231
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699
1-(4-methylphenyl)-N-(2-methylsulfanylethyl)butan-2-amine
CID 115706168
3-methyl-1-(4-methylphenyl)-N-propyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051407
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1,1-difluoro-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 103759808

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine (CID 65133020) is 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine is CCCNC(CSC(C)(C)C)Cc1ccc(C)cc1.
What is the InChIKey of 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine?
The InChIKey is NHQZBJGXXZGEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NS/c1-6-11-18-16(13-19-17(3,4)5)12-15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine?
1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine has a molecular weight of 279.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-3-(4-methylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 65133020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).