4-(3-methoxypropoxy)-2-propoxyaniline

C13H21NO3 — CID 63676543

IUPAC4-(3-methoxypropoxy)-2-propoxyaniline
SMILESCCCOc1cc(OCCCOC)ccc1N
InChIInChI=1S/C13H21NO3/c1-3-7-17-13-10-11(5-6-12(13)14)16-9-4-8-15-2/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyRBGVYFPKQFUREZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.47
Rot. Bonds8

About 4-(3-methoxypropoxy)-2-propoxyaniline

4-(3-methoxypropoxy)-2-propoxyaniline (PubChem CID 63676543) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(3-methoxypropoxy)-2-propoxyaniline.

Molecular Properties

Compound Name4-(3-methoxypropoxy)-2-propoxyaniline
PubChem CID63676543
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(3-methoxypropoxy)-2-propoxyaniline
SMILESCCCOc1cc(OCCCOC)ccc1N
InChIInChI=1S/C13H21NO3/c1-3-7-17-13-10-11(5-6-12(13)14)16-9-4-8-15-2/h5-6,10H,3-4,7-9,14H2,1-2H3
InChIKeyRBGVYFPKQFUREZ-UHFFFAOYSA-N
XLogP2.47
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-octoxy-2-propoxyaniline
CID 63676334
2-ethoxy-4-propoxyaniline
CID 63677806
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
2-ethoxy-4-pentoxyaniline
CID 63678215
2-ethoxy-4-[2-(2-methoxyethoxy)ethoxy]aniline
CID 113426736
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
4-(3-methoxyphenoxy)-2-propoxyaniline
CID 63678000
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
CID 89075678
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropoxy)-2-propoxyaniline?
The IUPAC name of 4-(3-methoxypropoxy)-2-propoxyaniline (CID 63676543) is 4-(3-methoxypropoxy)-2-propoxyaniline.
What is the SMILES notation for 4-(3-methoxypropoxy)-2-propoxyaniline?
The canonical SMILES for 4-(3-methoxypropoxy)-2-propoxyaniline is CCCOc1cc(OCCCOC)ccc1N.
What is the InChIKey of 4-(3-methoxypropoxy)-2-propoxyaniline?
The InChIKey is RBGVYFPKQFUREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-7-17-13-10-11(5-6-12(13)14)16-9-4-8-15-2/h5-6,10H,3-4,7-9,14H2,1-2H3.
What are the key properties of 4-(3-methoxypropoxy)-2-propoxyaniline?
4-(3-methoxypropoxy)-2-propoxyaniline has a molecular weight of 239.31 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropoxy)-2-propoxyaniline is sourced from PubChem (CID 63676543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).