2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine

C14H25N3O2 — CID 79183159

IUPAC2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CC2CN(C)CCO2)c1
InChIInChI=1S/C14H25N3O2/c1-16-6-8-19-14(11-16)12-17-5-3-13(10-17)9-15-4-7-18-2/h3,5,10,14-15H,4,6-9,11-12H2,1-2H3
InChIKeyMKGRNSSTNNEGBV-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.55
Rot. Bonds7

About 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine

2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 79183159) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID79183159
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCOCCNCc1ccn(CC2CN(C)CCO2)c1
InChIInChI=1S/C14H25N3O2/c1-16-6-8-19-14(11-16)12-17-5-3-13(10-17)9-15-4-7-18-2/h3,5,10,14-15H,4,6-9,11-12H2,1-2H3
InChIKeyMKGRNSSTNNEGBV-UHFFFAOYSA-N
XLogP0.55
TPSA38.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanol
CID 79182796
2-methoxy-N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 102899619
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
CID 66404198
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
1-[(4-methylmorpholin-2-yl)methyl]pyridin-4-one
CID 116622203
N-[[4-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058970
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
1-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]butan-1-one
CID 79183064
cyclopropyl-[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methanone
CID 79182022
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
1-(4-ethylmorpholin-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]methanamine
CID 114399548
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 79183159) is 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine is COCCNCc1ccn(CC2CN(C)CCO2)c1.
What is the InChIKey of 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is MKGRNSSTNNEGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16-6-8-19-14(11-16)12-17-5-3-13(10-17)9-15-4-7-18-2/h3,5,10,14-15H,4,6-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 0.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(4-methylmorpholin-2-yl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79183159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).