4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline

C21H30N2 — CID 83963050

IUPAC4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
SMILESCCN(CC)CCc1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C21H30N2/c1-3-23(4-2)18-16-20-12-14-21(15-13-20)22-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,22H,3-4,8,11,16-18H2,1-2H3
InChIKeyFHDGYCRPIHASEX-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.62
Rot. Bonds10

About 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline

4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline (PubChem CID 83963050) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
PubChem CID83963050
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline
SMILESCCN(CC)CCc1ccc(NCCCc2ccccc2)cc1
InChIInChI=1S/C21H30N2/c1-3-23(4-2)18-16-20-12-14-21(15-13-20)22-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,22H,3-4,8,11,16-18H2,1-2H3
InChIKeyFHDGYCRPIHASEX-UHFFFAOYSA-N
XLogP4.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline
CID 83963022
N-[3-(4-propylphenyl)propyl]aniline
CID 90752574
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N-[4-(2-chloroethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 107913689
4-ethylsulfonyl-N-(3-phenylpropyl)aniline
CID 43689628
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N-[3-(4-fluorophenyl)propyl]aniline
CID 91405958

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline?
The IUPAC name of 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline (CID 83963050) is 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline is CCN(CC)CCc1ccc(NCCCc2ccccc2)cc1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline?
The InChIKey is FHDGYCRPIHASEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-3-23(4-2)18-16-20-12-14-21(15-13-20)22-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-15,22H,3-4,8,11,16-18H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline?
4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline has a molecular weight of 310.49 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-N-(3-phenylpropyl)aniline is sourced from PubChem (CID 83963050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).