1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine

C16H27NS — CID 113499014

IUPAC1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
SMILESCCSCC(C)NC(CC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NS/c1-5-14-8-10-15(11-9-14)16(6-2)17-13(4)12-18-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyFRBCAMPFBVMSTL-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.43
Rot. Bonds8

About 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine

1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine (PubChem CID 113499014) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
PubChem CID113499014
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
SMILESCCSCC(C)NC(CC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NS/c1-5-14-8-10-15(11-9-14)16(6-2)17-13(4)12-18-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3
InChIKeyFRBCAMPFBVMSTL-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
CID 115725643
N-[1-(4-chlorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115725719
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
1-ethylsulfanyl-N-[1-(4-methylsulfanylphenyl)ethyl]propan-2-amine
CID 113247045
[1-(4-ethylphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226219
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542
1-(4-ethylphenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 114187320
N-[1-(3,4-difluorophenyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115668175

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine (CID 113499014) is 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine is CCSCC(C)NC(CC)c1ccc(CC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
The InChIKey is FRBCAMPFBVMSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-14-8-10-15(11-9-14)16(6-2)17-13(4)12-18-7-3/h8-11,13,16-17H,5-7,12H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine has a molecular weight of 265.47 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 113499014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).