4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline

C34H40N2O2 — CID 19913250

IUPAC4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline
SMILESCCCCCCCC(CC)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C34H40N2O2/c1-3-5-6-7-8-25-34(4-2,26-9-17-30(18-10-26)37-32-21-13-28(35)14-22-32)27-11-19-31(20-12-27)38-33-23-15-29(36)16-24-33/h9-24H,3-8,25,35-36H2,1-2H3
InChIKeyDSYOLBOLCKXQOH-UHFFFAOYSA-N
MW508.71 g/mol
LogP9.49
Rot. Bonds13

About 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline

4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline (PubChem CID 19913250) has the molecular formula C34H40N2O2 and a molecular weight of 508.71 g/mol. Its IUPAC name is 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline.

Molecular Properties

Compound Name4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline
PubChem CID19913250
Molecular FormulaC34H40N2O2
Molecular Weight508.71 g/mol
Exact Mass508.31
IUPAC Name4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline
SMILESCCCCCCCC(CC)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C34H40N2O2/c1-3-5-6-7-8-25-34(4-2,26-9-17-30(18-10-26)37-32-21-13-28(35)14-22-32)27-11-19-31(20-12-27)38-33-23-15-29(36)16-24-33/h9-24H,3-8,25,35-36H2,1-2H3
InChIKeyDSYOLBOLCKXQOH-UHFFFAOYSA-N
XLogP9.49
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 59.49
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-[4-[5-[4-(4-aminophenoxy)phenyl]-1-fluorononan-5-yl]phenoxy]aniline
CID 57315593
4-[4-[4-[4-(4-aminophenoxy)phenyl]heptan-4-yl]phenoxy]aniline
CID 56978191
4-[3-(4-hydroxyphenyl)octadecan-3-yl]phenol
CID 139639448
2-[4-[3-[4-(2-hydroxyethoxy)phenyl]octan-3-yl]phenoxy]ethanol
CID 139831972
4-(1,1-dimethoxydecyl)aniline
CID 150019034
4-[5-(3-aminopropyl)dodecan-5-yl]aniline
CID 56995609
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]decan-2-yl]phenyl]methyl]aniline
CID 22315979
4-[[4-[2-[4-[(4-aminophenyl)methyl]phenyl]tetradecan-2-yl]phenyl]methyl]aniline
CID 22316084
15-phenylnonacosan-15-ylbenzene
CID 141310981
4-(4-aminophenoxy)aniline
CID 161415647
4-(3-ethyl-4-methyl-3-phenyldecan-4-yl)aniline
CID 134331731

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline?
The IUPAC name of 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline (CID 19913250) is 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline.
What is the SMILES notation for 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline?
The canonical SMILES for 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline is CCCCCCCC(CC)(c1ccc(Oc2ccc(N)cc2)cc1)c1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline?
The InChIKey is DSYOLBOLCKXQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O2/c1-3-5-6-7-8-25-34(4-2,26-9-17-30(18-10-26)37-32-21-13-28(35)14-22-32)27-11-19-31(20-12-27)38-33-23-15-29(36)16-24-33/h9-24H,3-8,25,35-36H2,1-2H3.
What are the key properties of 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline?
4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline has a molecular weight of 508.71 g/mol, XLogP of 9.49, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[4-(4-aminophenoxy)phenyl]decan-3-yl]phenoxy]aniline is sourced from PubChem (CID 19913250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).