4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

C17H29N3O — CID 63274153

IUPAC4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCOCCNCc1ccc(N(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C17H29N3O/c1-19-10-8-16(13-19)14-20(2)17-6-4-15(5-7-17)12-18-9-11-21-3/h4-7,16,18H,8-14H2,1-3H3
InChIKeyHBLWDWZUMHWTNC-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.81
Rot. Bonds8

About 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline

4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (PubChem CID 63274153) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
PubChem CID63274153
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
SMILESCOCCNCc1ccc(N(C)CC2CCN(C)C2)cc1
InChIInChI=1S/C17H29N3O/c1-19-10-8-16(13-19)14-20(2)17-6-4-15(5-7-17)12-18-9-11-21-3/h4-7,16,18H,8-14H2,1-3H3
InChIKeyHBLWDWZUMHWTNC-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63630737
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276040
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275836
N'-[4-[(2-methoxyethylamino)methyl]phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698869
N-[4-[(2-methoxyethylamino)methyl]phenyl]-N-methyloxan-4-amine
CID 63058629
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115653390
4-(ethylaminomethyl)-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63273977
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 63274318
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63060220
N-(2-methoxyethyl)-N'-methyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 63234363
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]benzaldehyde
CID 55171627
N-[(4-methylphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855729

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline (CID 63274153) is 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is COCCNCc1ccc(N(C)CC2CCN(C)C2)cc1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
The InChIKey is HBLWDWZUMHWTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-19-10-8-16(13-19)14-20(2)17-6-4-15(5-7-17)12-18-9-11-21-3/h4-7,16,18H,8-14H2,1-3H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline?
4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline has a molecular weight of 291.44 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline is sourced from PubChem (CID 63274153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).