4-[2-(3-ethoxypropylamino)propyl]aniline

C14H24N2O — CID 82257195

IUPAC4-[2-(3-ethoxypropylamino)propyl]aniline
SMILESCCOCCCNC(C)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-3-17-10-4-9-16-12(2)11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyGZPJPUDVALUQCT-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.22
Rot. Bonds8

About 4-[2-(3-ethoxypropylamino)propyl]aniline

4-[2-(3-ethoxypropylamino)propyl]aniline (PubChem CID 82257195) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[2-(3-ethoxypropylamino)propyl]aniline.

Molecular Properties

Compound Name4-[2-(3-ethoxypropylamino)propyl]aniline
PubChem CID82257195
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[2-(3-ethoxypropylamino)propyl]aniline
SMILESCCOCCCNC(C)Cc1ccc(N)cc1
InChIInChI=1S/C14H24N2O/c1-3-17-10-4-9-16-12(2)11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11,15H2,1-2H3
InChIKeyGZPJPUDVALUQCT-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-(4-aminophenyl)propan-2-ylamino]ethoxy]ethanol
CID 82257190
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
CID 63099763
1-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]propan-2-amine
CID 43508791
N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
4-(3-ethoxypropoxymethyl)aniline
CID 65176442
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
N-(2-butoxyethyl)-1-(4-fluorophenyl)propan-2-amine
CID 62997090
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
4-(3-ethoxypropoxy)aniline
CID 43365878

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxypropylamino)propyl]aniline?
The IUPAC name of 4-[2-(3-ethoxypropylamino)propyl]aniline (CID 82257195) is 4-[2-(3-ethoxypropylamino)propyl]aniline.
What is the SMILES notation for 4-[2-(3-ethoxypropylamino)propyl]aniline?
The canonical SMILES for 4-[2-(3-ethoxypropylamino)propyl]aniline is CCOCCCNC(C)Cc1ccc(N)cc1.
What is the InChIKey of 4-[2-(3-ethoxypropylamino)propyl]aniline?
The InChIKey is GZPJPUDVALUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-17-10-4-9-16-12(2)11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11,15H2,1-2H3.
What are the key properties of 4-[2-(3-ethoxypropylamino)propyl]aniline?
4-[2-(3-ethoxypropylamino)propyl]aniline has a molecular weight of 236.36 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxypropylamino)propyl]aniline is sourced from PubChem (CID 82257195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).