2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline

C17H29N3O — CID 63207560

IUPAC2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCOCCNCc1ccccc1N(C)CCN1CCCC1
InChIInChI=1S/C17H29N3O/c1-19(12-13-20-10-5-6-11-20)17-8-4-3-7-16(17)15-18-9-14-21-2/h3-4,7-8,18H,5-6,9-15H2,1-2H3
InChIKeyKYPLDPIDVYMBCC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.95
Rot. Bonds9

About 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline

2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 63207560) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID63207560
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCOCCNCc1ccccc1N(C)CCN1CCCC1
InChIInChI=1S/C17H29N3O/c1-19(12-13-20-10-5-6-11-20)17-8-4-3-7-16(17)15-18-9-14-21-2/h3-4,7-8,18H,5-6,9-15H2,1-2H3
InChIKeyKYPLDPIDVYMBCC-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.95
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'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699734
5-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 80638766
N-(3-methoxypropyl)-N-methyl-2-(propylaminomethyl)aniline
CID 55141079
N,N-diethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63058895
N'-ethyl-N'-[2-[(2-methoxyethylamino)methyl]phenyl]-N,N-dimethylpropane-1,3-diamine
CID 102995261
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
2-[4-[2-[(2-methoxyethylamino)methyl]phenyl]piperazin-1-yl]ethanol
CID 63058807
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978
N-ethyl-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 63059826
N-(2-ethoxyethyl)-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63690496
2-[2-[(2-methoxyethylamino)methyl]-N,4-dimethylanilino]ethanol
CID 114055007
2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63070903

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline (CID 63207560) is 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline is COCCNCc1ccccc1N(C)CCN1CCCC1.
What is the InChIKey of 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is KYPLDPIDVYMBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19(12-13-20-10-5-6-11-20)17-8-4-3-7-16(17)15-18-9-14-21-2/h3-4,7-8,18H,5-6,9-15H2,1-2H3.
What are the key properties of 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline?
2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 291.44 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 63207560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).