4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline

C25H30N2O — CID 59646168

IUPAC4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline
SMILESNc1ccc(CCCCCCCc2ccc(Oc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C25H30N2O/c26-22-12-8-20(9-13-22)6-4-2-1-3-5-7-21-10-16-24(17-11-21)28-25-18-14-23(27)15-19-25/h8-19H,1-7,26-27H2
InChIKeyCTWKLDUHMYURIG-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.38
Rot. Bonds10

About 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline

4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline (PubChem CID 59646168) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline.

Molecular Properties

Compound Name4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline
PubChem CID59646168
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline
SMILESNc1ccc(CCCCCCCc2ccc(Oc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C25H30N2O/c26-22-12-8-20(9-13-22)6-4-2-1-3-5-7-21-10-16-24(17-11-21)28-25-18-14-23(27)15-19-25/h8-19H,1-7,26-27H2
InChIKeyCTWKLDUHMYURIG-UHFFFAOYSA-N
XLogP6.38
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-(3-phenylpropyl)phenoxy]aniline
CID 123730632
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
4-(4-aminophenoxy)aniline
CID 161415647
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
4-[4-[3-[4-(4-aminophenoxy)phenyl]butyl]phenoxy]aniline
CID 18363730
4-[[4-(4-propylphenoxy)phenyl]diazenyl]aniline
CID 129086495
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
4-(4-dodecylphenoxy)phenol
CID 134258509

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline?
The IUPAC name of 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline (CID 59646168) is 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline.
What is the SMILES notation for 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline?
The canonical SMILES for 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline is Nc1ccc(CCCCCCCc2ccc(Oc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline?
The InChIKey is CTWKLDUHMYURIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c26-22-12-8-20(9-13-22)6-4-2-1-3-5-7-21-10-16-24(17-11-21)28-25-18-14-23(27)15-19-25/h8-19H,1-7,26-27H2.
What are the key properties of 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline?
4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline has a molecular weight of 374.53 g/mol, XLogP of 6.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(4-aminophenoxy)phenyl]heptyl]aniline is sourced from PubChem (CID 59646168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).