1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine

C15H23ClN2S — CID 114862266

IUPAC1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine
SMILESCCC1CN(c2cc(Cl)ccc2CC(C)N)CCS1
InChIInChI=1S/C15H23ClN2S/c1-3-14-10-18(6-7-19-14)15-9-13(16)5-4-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3
InChIKeyIVHCUGXRYIJJIZ-UHFFFAOYSA-N
MW298.88 g/mol
LogP3.56
Rot. Bonds4

About 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine

1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine (PubChem CID 114862266) has the molecular formula C15H23ClN2S and a molecular weight of 298.88 g/mol. Its IUPAC name is 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine
PubChem CID114862266
Molecular FormulaC15H23ClN2S
Molecular Weight298.88 g/mol
Exact Mass298.13
IUPAC Name1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine
SMILESCCC1CN(c2cc(Cl)ccc2CC(C)N)CCS1
InChIInChI=1S/C15H23ClN2S/c1-3-14-10-18(6-7-19-14)15-9-13(16)5-4-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3
InChIKeyIVHCUGXRYIJJIZ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine (CID 114862266) is 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine is CCC1CN(c2cc(Cl)ccc2CC(C)N)CCS1.
What is the InChIKey of 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine?
The InChIKey is IVHCUGXRYIJJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2S/c1-3-14-10-18(6-7-19-14)15-9-13(16)5-4-12(15)8-11(2)17/h4-5,9,11,14H,3,6-8,10,17H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine?
1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine has a molecular weight of 298.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(2-ethylthiomorpholin-4-yl)phenyl]propan-2-amine is sourced from PubChem (CID 114862266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).