4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline

C18H32N2O — CID 63069765

IUPAC4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCOCCNCc1ccc(N(C)C(C)CC(C)C)c(C)c1
InChIInChI=1S/C18H32N2O/c1-14(2)11-16(4)20(5)18-8-7-17(12-15(18)3)13-19-9-10-21-6/h7-8,12,14,16,19H,9-11,13H2,1-6H3
InChIKeyRREUINLANHFOHU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.60
Rot. Bonds9

About 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline

4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 63069765) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
PubChem CID63069765
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline
SMILESCOCCNCc1ccc(N(C)C(C)CC(C)C)c(C)c1
InChIInChI=1S/C18H32N2O/c1-14(2)11-16(4)20(5)18-8-7-17(12-15(18)3)13-19-9-10-21-6/h7-8,12,14,16,19H,9-11,13H2,1-6H3
InChIKeyRREUINLANHFOHU-UHFFFAOYSA-N
XLogP3.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.60
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-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
2-[4-[(2-methoxyethylamino)methyl]-2-methyl-N-propan-2-ylanilino]ethanol
CID 63070701
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925
2-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]ethanol
CID 63058822
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-4-(propylaminomethyl)aniline
CID 62122948
N-butan-2-yl-4-(ethylaminomethyl)-N,2-dimethylaniline
CID 62121015
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 63059852
N-(3,3-dimethylbutan-2-yl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 63550642
3-[4-[(2-methoxyethylamino)methyl]-N,2-dimethylanilino]-N-methylpropanamide
CID 106916671
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline (CID 63069765) is 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline is COCCNCc1ccc(N(C)C(C)CC(C)C)c(C)c1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is RREUINLANHFOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-14(2)11-16(4)20(5)18-8-7-17(12-15(18)3)13-19-9-10-21-6/h7-8,12,14,16,19H,9-11,13H2,1-6H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline?
4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 292.47 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-N,2-dimethyl-N-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 63069765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).