N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline

C16H28N2O — CID 63060006

IUPACN-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CNCCOC)cc1C
InChIInChI=1S/C16H28N2O/c1-5-10-18(6-2)16-8-7-15(12-14(16)3)13-17-9-11-19-4/h7-8,12,17H,5-6,9-11,13H2,1-4H3
InChIKeyLBBPRZPVNWJCCK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.97
Rot. Bonds9

About N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline

N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline (PubChem CID 63060006) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline.

Molecular Properties

Compound NameN-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
PubChem CID63060006
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
SMILESCCCN(CC)c1ccc(CNCCOC)cc1C
InChIInChI=1S/C16H28N2O/c1-5-10-18(6-2)16-8-7-15(12-14(16)3)13-17-9-11-19-4/h7-8,12,17H,5-6,9-11,13H2,1-4H3
InChIKeyLBBPRZPVNWJCCK-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 107399906
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
N-(2-ethoxyethyl)-N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]aniline
CID 63691377
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
CID 63069765
2-bromo-4-[(2-methoxyethylamino)methyl]-N-methyl-N-propylaniline
CID 114062703
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
2-[N-ethyl-4-[(2-methoxyethylamino)methyl]-2-propan-2-yloxyanilino]ethanol
CID 84750420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline?
The IUPAC name of N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline (CID 63060006) is N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline.
What is the SMILES notation for N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline?
The canonical SMILES for N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline is CCCN(CC)c1ccc(CNCCOC)cc1C.
What is the InChIKey of N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline?
The InChIKey is LBBPRZPVNWJCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-10-18(6-2)16-8-7-15(12-14(16)3)13-17-9-11-19-4/h7-8,12,17H,5-6,9-11,13H2,1-4H3.
What are the key properties of N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline?
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline has a molecular weight of 264.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline is sourced from PubChem (CID 63060006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).