N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

C16H27NOS — CID 64651707

IUPACN-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)CC)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NOS/c1-6-8-17-15(11-19(18)7-2)16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyBTTPBGNHFFMUHT-UHFFFAOYSA-N
MW281.46 g/mol
LogP3.42
Rot. Bonds7

About N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 64651707) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
PubChem CID64651707
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC NameN-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)CC)c1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NOS/c1-6-8-17-15(11-19(18)7-2)16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3
InChIKeyBTTPBGNHFFMUHT-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-propyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 115845570
3-methylsulfonyl-N-propyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 115848516
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63475624
N-[1-(3,5-dimethylphenyl)-2-pentylsulfinylethyl]propan-1-amine
CID 107758918
N-methyl-2-(2-methylpropylsulfinyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 64652449
N-[1-(3,5-dimethylphenyl)-2-(3-methylbutylsulfinyl)ethyl]propan-1-amine
CID 107760593
N-[2-thiophen-2-yl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 63528434
N-[2-tert-butylsulfinyl-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 64651316
N-[2-ethylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 64652133
N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63468848
3,3,3-trifluoro-1-(2-methoxy-4,6-dimethylphenyl)-N-propylpropan-1-amine
CID 106680472
N-[1-(2-ethoxyphenyl)-2-ethylsulfinylethyl]propan-1-amine
CID 64652330

Frequently Asked Questions

What is the IUPAC name of N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (CID 64651707) is N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is CCCNC(CS(=O)CC)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is BTTPBGNHFFMUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-6-8-17-15(11-19(18)7-2)16-13(4)9-12(3)10-14(16)5/h9-10,15,17H,6-8,11H2,1-5H3.
What are the key properties of N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 281.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethylsulfinyl-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 64651707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).