4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline

C15H20N2O2 — CID 145290966

IUPAC4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline
SMILESNC1=CCC(OCCCOc2ccc(N)cc2)C=C1
InChIInChI=1S/C15H20N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-8,15H,1,9-11,16-17H2
InChIKeyPSNJTUHSGDWXQJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.23
Rot. Bonds6

About 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline

4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline (PubChem CID 145290966) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline.

Molecular Properties

Compound Name4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline
PubChem CID145290966
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline
SMILESNC1=CCC(OCCCOc2ccc(N)cc2)C=C1
InChIInChI=1S/C15H20N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-8,15H,1,9-11,16-17H2
InChIKeyPSNJTUHSGDWXQJ-UHFFFAOYSA-N
XLogP2.23
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-(3-ethoxypropoxy)aniline
CID 43365878
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
4-aminooxy-N-(4-aminophenoxy)cyclohexa-1,5-dien-1-amine oxide
CID 163756289
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
4-[3-(oxetan-3-ylsulfanyl)propoxy]aniline
CID 79326828
4-[3-(2,4,6-trimethylphenoxy)propoxy]aniline
CID 61218955
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
4-(4-aminophenoxy)butanoic acid
CID 14451763

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline?
The IUPAC name of 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline (CID 145290966) is 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline.
What is the SMILES notation for 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline?
The canonical SMILES for 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline is NC1=CCC(OCCCOc2ccc(N)cc2)C=C1.
What is the InChIKey of 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline?
The InChIKey is PSNJTUHSGDWXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-12-2-6-14(7-3-12)18-10-1-11-19-15-8-4-13(17)5-9-15/h2-8,15H,1,9-11,16-17H2.
What are the key properties of 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline?
4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline has a molecular weight of 260.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminocyclohexa-2,4-dien-1-yl)oxypropoxy]aniline is sourced from PubChem (CID 145290966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).