1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine

C15H23NOS — CID 64660071

IUPAC1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1C)C1CC1
InChIInChI=1S/C15H23NOS/c1-4-16-14(13-6-7-13)10-18(17)15-8-5-11(2)9-12(15)3/h5,8-9,13-14,16H,4,6-7,10H2,1-3H3
InChIKeyRFBBFNHFTFEUBY-UHFFFAOYSA-N
MW265.42 g/mol
LogP2.80
Rot. Bonds6

About 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine

1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine (PubChem CID 64660071) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
PubChem CID64660071
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine
SMILESCCNC(CS(=O)c1ccc(C)cc1C)C1CC1
InChIInChI=1S/C15H23NOS/c1-4-16-14(13-6-7-13)10-18(17)15-8-5-11(2)9-12(15)3/h5,8-9,13-14,16H,4,6-7,10H2,1-3H3
InChIKeyRFBBFNHFTFEUBY-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylphenyl)sulfinyl-N-ethyl-3-methoxypropan-2-amine
CID 107508721
1-cyclohexyl-2-(2,5-dimethylphenyl)sulfinyl-N-methylethanamine
CID 104754430
1-cyclopentyl-2-(2,5-difluorophenyl)sulfinyl-N-ethylethanamine
CID 104754680
1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
CID 64654604
1-cyclopropyl-2-(2,3-dihydro-1H-inden-5-ylsulfinyl)-N-ethylethanamine
CID 64653227
N-ethyl-2-(4-methylphenyl)sulfinyl-1-(oxolan-3-yl)ethanamine
CID 104754394
2-(4-bromophenyl)sulfinyl-1-cyclohexyl-N-ethylethanamine
CID 104754578
N-[2-(2-bromophenyl)sulfinyl-1-cyclopropylethyl]propan-1-amine
CID 64653330
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629
3-(2,4-dimethylphenyl)sulfinyl-N-propan-2-ylpropan-1-amine
CID 64658901
N-ethyl-1-(4-methylcyclohexyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 63415653

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine?
The IUPAC name of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine (CID 64660071) is 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine?
The canonical SMILES for 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine is CCNC(CS(=O)c1ccc(C)cc1C)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine?
The InChIKey is RFBBFNHFTFEUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-16-14(13-6-7-13)10-18(17)15-8-5-11(2)9-12(15)3/h5,8-9,13-14,16H,4,6-7,10H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine?
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine has a molecular weight of 265.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinyl-N-ethylethanamine is sourced from PubChem (CID 64660071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).