4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline

C18H23NO — CID 143097022

IUPAC4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline
SMILESCCC/C1=C/C(Oc2ccc(N)cc2)=C\C=C/CC1C
InChIInChI=1S/C18H23NO/c1-3-6-15-13-18(8-5-4-7-14(15)2)20-17-11-9-16(19)10-12-17/h4-5,8-14H,3,6-7,19H2,1-2H3/b5-4-,15-13-,18-8+
InChIKeyUQXKLHZWRXQALL-REPFNYNKSA-N
MW269.39 g/mol
LogP4.85
Rot. Bonds4

About 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline

4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline (PubChem CID 143097022) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline.

Molecular Properties

Compound Name4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline
PubChem CID143097022
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline
SMILESCCC/C1=C/C(Oc2ccc(N)cc2)=C\C=C/CC1C
InChIInChI=1S/C18H23NO/c1-3-6-15-13-18(8-5-4-7-14(15)2)20-17-11-9-16(19)10-12-17/h4-5,8-14H,3,6-7,19H2,1-2H3/b5-4-,15-13-,18-8+
InChIKeyUQXKLHZWRXQALL-REPFNYNKSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-cyclohexa-1,3-dien-1-yloxyaniline
CID 129019348
4-(4-aminophenoxy)aniline
CID 161415647
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
benzene-1,4-diamine;butane
CID 67434753
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380
4-[4-[4-[4-(4-aminophenoxy)phenyl]heptan-4-yl]phenoxy]aniline
CID 56978191
4-(4-pentan-2-ylphenoxy)aniline
CID 19386569
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-[4-(4-aminophenoxy)-3-butylphenoxy]aniline
CID 19025155
4-[4-[1-[4-(4-aminophenoxy)phenyl]-1-cyclohexylbutyl]phenoxy]aniline
CID 70291666
4-[4-(4-chlorobut-1-ynyl)phenoxy]aniline
CID 170468687
4-[2-(4-hexoxyphenyl)ethynyl]aniline
CID 22644339

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline?
The IUPAC name of 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline (CID 143097022) is 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline.
What is the SMILES notation for 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline?
The canonical SMILES for 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline is CCC/C1=C/C(Oc2ccc(N)cc2)=C\C=C/CC1C.
What is the InChIKey of 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline?
The InChIKey is UQXKLHZWRXQALL-REPFNYNKSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-6-15-13-18(8-5-4-7-14(15)2)20-17-11-9-16(19)10-12-17/h4-5,8-14H,3,6-7,19H2,1-2H3/b5-4-,15-13-,18-8+.
What are the key properties of 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline?
4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline has a molecular weight of 269.39 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline is sourced from PubChem (CID 143097022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).