4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline

C16H28N2O — CID 4719418

IUPAC4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
SMILESCCOCCCNCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H28N2O/c1-4-18(5-2)16-10-8-15(9-11-16)14-17-12-7-13-19-6-3/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyUVEQLVZXEGFYIN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.05
Rot. Bonds10

About 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline

4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline (PubChem CID 4719418) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
PubChem CID4719418
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline
SMILESCCOCCCNCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C16H28N2O/c1-4-18(5-2)16-10-8-15(9-11-16)14-17-12-7-13-19-6-3/h8-11,17H,4-7,12-14H2,1-3H3
InChIKeyUVEQLVZXEGFYIN-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.05
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': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[(4-methylphenyl)methyl]propan-1-amine
CID 4716360
N,N-diethyl-4-[(hexylamino)methyl]aniline;hydrochloride
CID 17293948
N,N-diethyl-4-[(heptylamino)methyl]aniline;hydrochloride
CID 17293965
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489
4-[(3-ethoxypropylamino)methyl]benzoic acid;hydrochloride
CID 17157552
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
5-[(3-ethoxypropylamino)methyl]-2-fluoro-N,N-dimethylaniline
CID 84747186
N,N-dibutyl-4-(butylaminomethyl)aniline
CID 134517429
3-ethoxy-N-(1H-pyrrol-3-ylmethyl)propan-1-amine
CID 66408485
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline?
The IUPAC name of 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline (CID 4719418) is 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline?
The canonical SMILES for 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline is CCOCCCNCc1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline?
The InChIKey is UVEQLVZXEGFYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-18(5-2)16-10-8-15(9-11-16)14-17-12-7-13-19-6-3/h8-11,17H,4-7,12-14H2,1-3H3.
What are the key properties of 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline?
4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline has a molecular weight of 264.41 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxypropylamino)methyl]-N,N-diethylaniline is sourced from PubChem (CID 4719418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).