2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine

C13H22N2O2 — CID 89075678

IUPAC2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
SMILESCCCNc1ccc(N)c(OCCCOC)c1
InChIInChI=1S/C13H22N2O2/c1-3-7-15-11-5-6-12(14)13(10-11)17-9-4-8-16-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3
InChIKeyOFJRWBNXCQJUGN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.51
Rot. Bonds8

About 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine

2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine (PubChem CID 89075678) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
PubChem CID89075678
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine
SMILESCCCNc1ccc(N)c(OCCCOC)c1
InChIInChI=1S/C13H22N2O2/c1-3-7-15-11-5-6-12(14)13(10-11)17-9-4-8-16-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3
InChIKeyOFJRWBNXCQJUGN-UHFFFAOYSA-N
XLogP2.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
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-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
4-(3-methoxypropoxy)-2-propoxyaniline
CID 63676543
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
N-[3-(4-amino-3-propoxyanilino)propyl]methanesulfonamide
CID 106333876
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
2-propoxy-4-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 63677568
methyl 2-(4-amino-3-propoxyanilino)acetate
CID 63671618
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine (CID 89075678) is 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine is CCCNc1ccc(N)c(OCCCOC)c1.
What is the InChIKey of 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine?
The InChIKey is OFJRWBNXCQJUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-7-15-11-5-6-12(14)13(10-11)17-9-4-8-16-2/h5-6,10,15H,3-4,7-9,14H2,1-2H3.
What are the key properties of 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine?
2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 89075678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).