1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine

C16H27NS — CID 65132239

IUPAC1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCCNC(CSC(C)C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NS/c1-6-17-16(11-18-12(2)3)10-15-8-13(4)7-14(5)9-15/h7-9,12,16-17H,6,10-11H2,1-5H3
InChIKeyZEEZSRORIJEOKG-UHFFFAOYSA-N
MW265.47 g/mol
LogP3.97
Rot. Bonds7

About 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine

1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65132239) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65132239
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
SMILESCCNC(CSC(C)C)Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H27NS/c1-6-17-16(11-18-12(2)3)10-15-8-13(4)7-14(5)9-15/h7-9,12,16-17H,6,10-11H2,1-5H3
InChIKeyZEEZSRORIJEOKG-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-ylsulfanyl-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 65136261
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
N-ethyl-1-propan-2-ylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65131790
1-(3,5-dimethylphenyl)-N-ethyl-4-methylidenehexan-2-amine
CID 66036851
1-(3,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 62605123
N-ethyl-1-propan-2-ylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65131725
1-(2,4-dichlorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132131
1-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63415187
1-(2-bromophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-2-amine
CID 63416386
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
1-butan-2-ylsulfanyl-N-ethyl-3-phenylpropan-2-amine
CID 65135913

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine (CID 65132239) is 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine is CCNC(CSC(C)C)Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is ZEEZSRORIJEOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-6-17-16(11-18-12(2)3)10-15-8-13(4)7-14(5)9-15/h7-9,12,16-17H,6,10-11H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine?
1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65132239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).