1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine

C13H22N2OS — CID 107556015

IUPAC1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCC1COCCN1Cc1ccc(CNC)s1
InChIInChI=1S/C13H22N2OS/c1-3-11-10-16-7-6-15(11)9-13-5-4-12(17-13)8-14-2/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyXIYLZJYOZQWSES-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.08
Rot. Bonds5

About 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine

1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine (PubChem CID 107556015) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
PubChem CID107556015
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
SMILESCCC1COCCN1Cc1ccc(CNC)s1
InChIInChI=1S/C13H22N2OS/c1-3-11-10-16-7-6-15(11)9-13-5-4-12(17-13)8-14-2/h4-5,11,14H,3,6-10H2,1-2H3
InChIKeyXIYLZJYOZQWSES-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-ethyl-4-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]morpholine
CID 70754291
1-[5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556582
1-[2-[(3-ethylmorpholin-4-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 55134466
2-[4-[(3-ethylmorpholin-4-yl)methyl]phenyl]-N-methylethanamine
CID 105347112
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62432573
N-methyl-1-[5-[(3-methylthiomorpholin-4-yl)methyl]thiophen-2-yl]methanamine
CID 107556945
4-[(3-bromothiophen-2-yl)methyl]-3-ethylmorpholine
CID 55208223
N-[[5-[(3-ethylmorpholin-4-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074092
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107555469
1-[6-(3-ethylmorpholin-4-yl)-3-pyridinyl]-N-methylmethanamine
CID 62282781
3-[(3-ethylmorpholin-4-yl)methyl]aniline
CID 43611627

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine (CID 107556015) is 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine is CCC1COCCN1Cc1ccc(CNC)s1.
What is the InChIKey of 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
The InChIKey is XIYLZJYOZQWSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-10-16-7-6-15(11)9-13-5-4-12(17-13)8-14-2/h4-5,11,14H,3,6-10H2,1-2H3.
What are the key properties of 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine?
1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-ethylmorpholin-4-yl)methyl]thiophen-2-yl]-N-methylmethanamine is sourced from PubChem (CID 107556015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).