4-(3-ethoxypropoxy)aniline

C11H17NO2 — CID 43365878

IUPAC4-(3-ethoxypropoxy)aniline
SMILESCCOCCCOc1ccc(N)cc1
InChIInChI=1S/C11H17NO2/c1-2-13-8-3-9-14-11-6-4-10(12)5-7-11/h4-7H,2-3,8-9,12H2,1H3
InChIKeyAWSWDZPWTLLEGS-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.07
Rot. Bonds6

About 4-(3-ethoxypropoxy)aniline

4-(3-ethoxypropoxy)aniline (PubChem CID 43365878) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-(3-ethoxypropoxy)aniline.

Molecular Properties

Compound Name4-(3-ethoxypropoxy)aniline
PubChem CID43365878
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-(3-ethoxypropoxy)aniline
SMILESCCOCCCOc1ccc(N)cc1
InChIInChI=1S/C11H17NO2/c1-2-13-8-3-9-14-11-6-4-10(12)5-7-11/h4-7H,2-3,8-9,12H2,1H3
InChIKeyAWSWDZPWTLLEGS-UHFFFAOYSA-N
XLogP2.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

4-(2-ethoxyethoxy)aniline
CID 16641299
4-(2-pentoxyethoxy)aniline
CID 43274923
4-(3-ethoxypropoxymethyl)aniline
CID 65176442
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
4-(2-heptoxyethoxy)aniline
CID 43366149
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
(1S)-1-[4-(3-ethoxypropoxy)phenyl]ethanol
CID 65175040
4-[4-(3-ethoxypropoxy)phenyl]butan-2-amine
CID 65175903
1-(3-ethoxypropoxy)-3,5-dimethylbenzene
CID 65202414

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropoxy)aniline?
The IUPAC name of 4-(3-ethoxypropoxy)aniline (CID 43365878) is 4-(3-ethoxypropoxy)aniline.
What is the SMILES notation for 4-(3-ethoxypropoxy)aniline?
The canonical SMILES for 4-(3-ethoxypropoxy)aniline is CCOCCCOc1ccc(N)cc1.
What is the InChIKey of 4-(3-ethoxypropoxy)aniline?
The InChIKey is AWSWDZPWTLLEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-13-8-3-9-14-11-6-4-10(12)5-7-11/h4-7H,2-3,8-9,12H2,1H3.
What are the key properties of 4-(3-ethoxypropoxy)aniline?
4-(3-ethoxypropoxy)aniline has a molecular weight of 195.26 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropoxy)aniline is sourced from PubChem (CID 43365878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).