N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine

C17H28N2S — CID 115464140

IUPACN-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1CCSCC1C
InChIInChI=1S/C17H28N2S/c1-14(2)18-9-8-16-6-4-5-7-17(16)12-19-10-11-20-13-15(19)3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyIYBFDPGQNIFRBB-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.16
Rot. Bonds6

About N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine

N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine (PubChem CID 115464140) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine
PubChem CID115464140
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccccc1CN1CCSCC1C
InChIInChI=1S/C17H28N2S/c1-14(2)18-9-8-16-6-4-5-7-17(16)12-19-10-11-20-13-15(19)3/h4-7,14-15,18H,8-13H2,1-3H3
InChIKeyIYBFDPGQNIFRBB-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine (CID 115464140) is N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine is CC(C)NCCc1ccccc1CN1CCSCC1C.
What is the InChIKey of N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine?
The InChIKey is IYBFDPGQNIFRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-14(2)18-9-8-16-6-4-5-7-17(16)12-19-10-11-20-13-15(19)3/h4-7,14-15,18H,8-13H2,1-3H3.
What are the key properties of N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine?
N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine has a molecular weight of 292.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3-methylthiomorpholin-4-yl)methyl]phenyl]ethyl]propan-2-amine is sourced from PubChem (CID 115464140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).