2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

C13H22N2OS — CID 62575708

IUPAC2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCN2CCOC(C)C2)s1
InChIInChI=1S/C13H22N2OS/c1-11-10-15(7-8-16-11)6-5-14-9-13-4-3-12(2)17-13/h3-4,11,14H,5-10H2,1-2H3
InChIKeyGPYPNGSUQKJYMD-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine

2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 62575708) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
PubChem CID62575708
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
SMILESCc1ccc(CNCCN2CCOC(C)C2)s1
InChIInChI=1S/C13H22N2OS/c1-11-10-15(7-8-16-11)6-5-14-9-13-4-3-12(2)17-13/h3-4,11,14H,5-10H2,1-2H3
InChIKeyGPYPNGSUQKJYMD-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1,4-oxazepan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62967779
2-(4-cyclopropylpiperazin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55089324
N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2224555
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62560429
2-(4,4-diethylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 63503961
3-(4-methylpiperidin-1-yl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 28680024
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62554063
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 107459695
N-[2-(2-methylmorpholin-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 62576088
4-chloro-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62574452
1-(furan-2-yl)-N-[2-(2-methylmorpholin-4-yl)ethyl]ethanamine
CID 62573349
2-bromo-N-[2-(2-methylmorpholin-4-yl)ethyl]aniline
CID 62573893

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine (CID 62575708) is 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is Cc1ccc(CNCCN2CCOC(C)C2)s1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is GPYPNGSUQKJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-10-15(7-8-16-11)6-5-14-9-13-4-3-12(2)17-13/h3-4,11,14H,5-10H2,1-2H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine?
2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 62575708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).