4-[19-(4-aminophenoxy)nonadecoxy]aniline

C31H50N2O2 — CID 139902778

IUPAC4-[19-(4-aminophenoxy)nonadecoxy]aniline
SMILESNc1ccc(OCCCCCCCCCCCCCCCCCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C31H50N2O2/c32-28-18-22-30(23-19-28)34-26-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-27-35-31-24-20-29(33)21-25-31/h18-25H,1-17,26-27,32-33H2
InChIKeyZTTMIGKKGWFXQU-UHFFFAOYSA-N
MW482.75 g/mol
LogP8.94
Rot. Bonds22

About 4-[19-(4-aminophenoxy)nonadecoxy]aniline

4-[19-(4-aminophenoxy)nonadecoxy]aniline (PubChem CID 139902778) has the molecular formula C31H50N2O2 and a molecular weight of 482.75 g/mol. Its IUPAC name is 4-[19-(4-aminophenoxy)nonadecoxy]aniline.

Molecular Properties

Compound Name4-[19-(4-aminophenoxy)nonadecoxy]aniline
PubChem CID139902778
Molecular FormulaC31H50N2O2
Molecular Weight482.75 g/mol
Exact Mass482.39
IUPAC Name4-[19-(4-aminophenoxy)nonadecoxy]aniline
SMILESNc1ccc(OCCCCCCCCCCCCCCCCCCCOc2ccc(N)cc2)cc1
InChIInChI=1S/C31H50N2O2/c32-28-18-22-30(23-19-28)34-26-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-27-35-31-24-20-29(33)21-25-31/h18-25H,1-17,26-27,32-33H2
InChIKeyZTTMIGKKGWFXQU-UHFFFAOYSA-N
XLogP8.94
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.75
LogP ≤ 58.94
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-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[5-(4-phenylphenoxy)pentoxy]aniline
CID 24833731
2-[10-(4-aminophenoxy)decoxy]aniline
CID 146356244
4-[5-(2-methoxyethoxy)pentoxy]aniline
CID 3026839
6-(4-aminophenoxy)hexanoic acid
CID 3028577
azane;ethane;ethene;4-octadecoxyaniline
CID 142260214
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[3-(4-aminophenoxy)propyl]aniline
CID 146744980
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
4-[2-(4-hexoxyphenyl)ethynyl]aniline
CID 22644339
1,6-bis(4-aminophenoxy)hexane-1,1-diamine
CID 172559201
4-(2-heptoxyethoxy)aniline
CID 43366149

Frequently Asked Questions

What is the IUPAC name of 4-[19-(4-aminophenoxy)nonadecoxy]aniline?
The IUPAC name of 4-[19-(4-aminophenoxy)nonadecoxy]aniline (CID 139902778) is 4-[19-(4-aminophenoxy)nonadecoxy]aniline.
What is the SMILES notation for 4-[19-(4-aminophenoxy)nonadecoxy]aniline?
The canonical SMILES for 4-[19-(4-aminophenoxy)nonadecoxy]aniline is Nc1ccc(OCCCCCCCCCCCCCCCCCCCOc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[19-(4-aminophenoxy)nonadecoxy]aniline?
The InChIKey is ZTTMIGKKGWFXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H50N2O2/c32-28-18-22-30(23-19-28)34-26-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-27-35-31-24-20-29(33)21-25-31/h18-25H,1-17,26-27,32-33H2.
What are the key properties of 4-[19-(4-aminophenoxy)nonadecoxy]aniline?
4-[19-(4-aminophenoxy)nonadecoxy]aniline has a molecular weight of 482.75 g/mol, XLogP of 8.94, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[19-(4-aminophenoxy)nonadecoxy]aniline is sourced from PubChem (CID 139902778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).