4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline

C16H28N2O — CID 63795379

IUPAC4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
SMILESCCOCCN(CC)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C16H28N2O/c1-5-18(9-10-19-6-2)16-8-7-15(11-13(16)3)12-14(4)17/h7-8,11,14H,5-6,9-10,12,17H2,1-4H3
InChIKeyNUOHCUXRHMETGL-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.75
Rot. Bonds8

About 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline

4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline (PubChem CID 63795379) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
PubChem CID63795379
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline
SMILESCCOCCN(CC)c1ccc(CC(C)N)cc1C
InChIInChI=1S/C16H28N2O/c1-5-18(9-10-19-6-2)16-8-7-15(11-13(16)3)12-14(4)17/h7-8,11,14H,5-6,9-10,12,17H2,1-4H3
InChIKeyNUOHCUXRHMETGL-UHFFFAOYSA-N
XLogP2.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 63698245
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63795204
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
4-(2-aminopropyl)-N-(1-methoxypropan-2-yl)-N,2-dimethylaniline
CID 55236420
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63815482
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(2-methylphenyl)aniline
CID 63785927
2-[(1R)-1-aminoethyl]-N-(2-ethoxyethyl)-N-ethylaniline
CID 63697735
4-(2-aminopropyl)-N-cyclopropyl-N-(2-methoxyethyl)-2-methylaniline
CID 63817388
4-(2-aminopropyl)-2-methyl-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63816026
4-(bromomethyl)-2-chloro-N-(2-ethoxyethyl)-N-ethylaniline
CID 107083639
4-(2-aminopropyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166314
[4-[2-ethoxyethyl(methyl)amino]-3-methylphenyl]methanol
CID 81058166

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline (CID 63795379) is 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline is CCOCCN(CC)c1ccc(CC(C)N)cc1C.
What is the InChIKey of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline?
The InChIKey is NUOHCUXRHMETGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-18(9-10-19-6-2)16-8-7-15(11-13(16)3)12-14(4)17/h7-8,11,14H,5-6,9-10,12,17H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline?
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline has a molecular weight of 264.41 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2-methylaniline is sourced from PubChem (CID 63795379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).