2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine

C17H28N2OS — CID 62418261

IUPAC2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(OCCN2CCSCC2)c1
InChIInChI=1S/C17H28N2OS/c1-15(2)13-18-14-16-4-3-5-17(12-16)20-9-6-19-7-10-21-11-8-19/h3-5,12,15,18H,6-11,13-14H2,1-2H3
InChIKeyOSTASTPEEDOLTG-UHFFFAOYSA-N
MW308.49 g/mol
LogP2.86
Rot. Bonds8

About 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 62418261) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
PubChem CID62418261
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(OCCN2CCSCC2)c1
InChIInChI=1S/C17H28N2OS/c1-15(2)13-18-14-16-4-3-5-17(12-16)20-9-6-19-7-10-21-11-8-19/h3-5,12,15,18H,6-11,13-14H2,1-2H3
InChIKeyOSTASTPEEDOLTG-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
CID 63055726
2-methyl-N-[[3-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62438277
1-[3-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62419745
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-(difluoromethyl)phenyl]methyl]-2-thiomorpholin-4-ylethanamine
CID 106324814
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 63056913
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754
4-[2-(3-bromophenoxy)ethyl]-1,4-thiazepane
CID 54971594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine (CID 62418261) is 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine is CC(C)CNCc1cccc(OCCN2CCSCC2)c1.
What is the InChIKey of 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is OSTASTPEEDOLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-15(2)13-18-14-16-4-3-5-17(12-16)20-9-6-19-7-10-21-11-8-19/h3-5,12,15,18H,6-11,13-14H2,1-2H3.
What are the key properties of 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 308.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62418261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).