N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine

C17H29NO2S — CID 64652092

IUPACN-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(CS(=O)CCOC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-5-18-17(13-21(19)11-10-20-4)16-8-6-15(7-9-16)12-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyQGZMZACXVPGFCR-UHFFFAOYSA-N
MW311.49 g/mol
LogP2.93
Rot. Bonds10

About N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine

N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine (PubChem CID 64652092) has the molecular formula C17H29NO2S and a molecular weight of 311.49 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
PubChem CID64652092
Molecular FormulaC17H29NO2S
Molecular Weight311.49 g/mol
Exact Mass311.19
IUPAC NameN-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
SMILESCCNC(CS(=O)CCOC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H29NO2S/c1-5-18-17(13-21(19)11-10-20-4)16-8-6-15(7-9-16)12-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3
InChIKeyQGZMZACXVPGFCR-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methoxyethylsulfinyl)-1-(4-methylphenyl)ethanamine
CID 64652293
N-ethyl-2-(3-methoxypropylsulfinyl)-1-phenylethanamine
CID 64658613
N-ethyl-1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethanamine
CID 64652051
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfinyl)ethyl]propan-1-amine
CID 64652903
N-ethyl-2-(2-methylpropoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 63474019
N-ethyl-1-(4-methylphenyl)-2-pentylsulfinylethanamine
CID 107758989
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
1-(2-methoxyethyl)-4-(2-methylpropyl)benzene
CID 67638248
N-[1-(4-ethylphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64653205
2-(2-cyclopropylethoxy)-N-ethyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200742
N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
CID 43489780
1-(1-methoxypropan-2-yl)-4-(2-methylpropyl)benzene
CID 134395846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine (CID 64652092) is N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine is CCNC(CS(=O)CCOC)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
The InChIKey is QGZMZACXVPGFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S/c1-5-18-17(13-21(19)11-10-20-4)16-8-6-15(7-9-16)12-14(2)3/h6-9,14,17-18H,5,10-13H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine?
N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine has a molecular weight of 311.49 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyethylsulfinyl)-1-[4-(2-methylpropyl)phenyl]ethanamine is sourced from PubChem (CID 64652092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).