4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline

C24H36N2O — CID 22061802

IUPAC4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline
SMILESCCCc1cc(Oc2cc(CCC)c(N)c(CCC)c2)cc(CCC)c1N
InChIInChI=1S/C24H36N2O/c1-5-9-17-13-21(14-18(10-6-2)23(17)25)27-22-15-19(11-7-3)24(26)20(16-22)12-8-4/h13-16H,5-12,25-26H2,1-4H3
InChIKeyMSRCYIZIQFPBJG-UHFFFAOYSA-N
MW368.57 g/mol
LogP6.45
Rot. Bonds10

About 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline

4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline (PubChem CID 22061802) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline.

Molecular Properties

Compound Name4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline
PubChem CID22061802
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC Name4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline
SMILESCCCc1cc(Oc2cc(CCC)c(N)c(CCC)c2)cc(CCC)c1N
InChIInChI=1S/C24H36N2O/c1-5-9-17-13-21(14-18(10-6-2)23(17)25)27-22-15-19(11-7-3)24(26)20(16-22)12-8-4/h13-16H,5-12,25-26H2,1-4H3
InChIKeyMSRCYIZIQFPBJG-UHFFFAOYSA-N
XLogP6.45
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.57
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline?
The IUPAC name of 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline (CID 22061802) is 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline.
What is the SMILES notation for 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline?
The canonical SMILES for 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline is CCCc1cc(Oc2cc(CCC)c(N)c(CCC)c2)cc(CCC)c1N.
What is the InChIKey of 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline?
The InChIKey is MSRCYIZIQFPBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-5-9-17-13-21(14-18(10-6-2)23(17)25)27-22-15-19(11-7-3)24(26)20(16-22)12-8-4/h13-16H,5-12,25-26H2,1-4H3.
What are the key properties of 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline?
4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline has a molecular weight of 368.57 g/mol, XLogP of 6.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3,5-dipropylphenoxy)-2,6-dipropylaniline is sourced from PubChem (CID 22061802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).