3-(3-propoxypropoxy)aniline

C12H19NO2 — CID 43247836

IUPAC3-(3-propoxypropoxy)aniline
SMILESCCCOCCCOc1cccc(N)c1
InChIInChI=1S/C12H19NO2/c1-2-7-14-8-4-9-15-12-6-3-5-11(13)10-12/h3,5-6,10H,2,4,7-9,13H2,1H3
InChIKeyFQKVMVYRBGLCIY-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.46
Rot. Bonds7

About 3-(3-propoxypropoxy)aniline

3-(3-propoxypropoxy)aniline (PubChem CID 43247836) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(3-propoxypropoxy)aniline.

Molecular Properties

Compound Name3-(3-propoxypropoxy)aniline
PubChem CID43247836
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(3-propoxypropoxy)aniline
SMILESCCCOCCCOc1cccc(N)c1
InChIInChI=1S/C12H19NO2/c1-2-7-14-8-4-9-15-12-6-3-5-11(13)10-12/h3,5-6,10H,2,4,7-9,13H2,1H3
InChIKeyFQKVMVYRBGLCIY-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methylpentoxy)propoxy]aniline
CID 43366169
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654
3-[3-(4-propylphenoxy)propoxy]aniline
CID 62548550
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
1-butyl-3-(3-propoxypropoxy)benzene
CID 54569777
1-(3-aminophenoxy)-3-pentoxypropan-2-ol
CID 55055260
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
3-(4-aminoheptoxy)aniline
CID 160803026
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-(3-ethylsulfanylpropoxy)aniline
CID 43366378
3-[3-[(2-bromophenyl)methoxy]propoxy]aniline
CID 82827981

Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropoxy)aniline?
The IUPAC name of 3-(3-propoxypropoxy)aniline (CID 43247836) is 3-(3-propoxypropoxy)aniline.
What is the SMILES notation for 3-(3-propoxypropoxy)aniline?
The canonical SMILES for 3-(3-propoxypropoxy)aniline is CCCOCCCOc1cccc(N)c1.
What is the InChIKey of 3-(3-propoxypropoxy)aniline?
The InChIKey is FQKVMVYRBGLCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-7-14-8-4-9-15-12-6-3-5-11(13)10-12/h3,5-6,10H,2,4,7-9,13H2,1H3.
What are the key properties of 3-(3-propoxypropoxy)aniline?
3-(3-propoxypropoxy)aniline has a molecular weight of 209.29 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropoxy)aniline is sourced from PubChem (CID 43247836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).