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

C12H22N2O2 — CID 66404198

IUPAC2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
SMILESCOCCCn1ccc(CNCCOC)c1
InChIInChI=1S/C12H22N2O2/c1-15-8-3-6-14-7-4-12(11-14)10-13-5-9-16-2/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyAYJNJCAUZZMQSV-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.26
Rot. Bonds9

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

2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 66404198) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID66404198
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine
SMILESCOCCCn1ccc(CNCCOC)c1
InChIInChI=1S/C12H22N2O2/c1-15-8-3-6-14-7-4-12(11-14)10-13-5-9-16-2/h4,7,11,13H,3,5-6,8-10H2,1-2H3
InChIKeyAYJNJCAUZZMQSV-UHFFFAOYSA-N
XLogP1.26
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.26
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

N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
2-methoxy-N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 103005563
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
2-methoxy-N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 82870189
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
N-[[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]methyl]-2-methylpropan-2-amine
CID 103411288
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406638
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
2-methoxy-N-[[1-(thiophen-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66407049
N-ethyl-2-[3-[(2-methoxyethylamino)methyl]pyrrol-1-yl]acetamide
CID 66406838
2-methoxy-N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 102878015

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine (CID 66404198) is 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine is COCCCn1ccc(CNCCOC)c1.
What is the InChIKey of 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is AYJNJCAUZZMQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-15-8-3-6-14-7-4-12(11-14)10-13-5-9-16-2/h4,7,11,13H,3,5-6,8-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66404198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).