2,6-bis(7-aminotridecan-7-yl)phenol

C32H60N2O — CID 20545732

IUPAC2,6-bis(7-aminotridecan-7-yl)phenol
SMILESCCCCCCC(N)(CCCCCC)c1cccc(C(N)(CCCCCC)CCCCCC)c1O
InChIInChI=1S/C32H60N2O/c1-5-9-13-17-24-31(33,25-18-14-10-6-2)28-22-21-23-29(30(28)35)32(34,26-19-15-11-7-3)27-20-16-12-8-4/h21-23,35H,5-20,24-27,33-34H2,1-4H3
InChIKeyXLJBPGPKHPVHNW-UHFFFAOYSA-N
MW488.85 g/mol
LogP9.58
Rot. Bonds22

About 2,6-bis(7-aminotridecan-7-yl)phenol

2,6-bis(7-aminotridecan-7-yl)phenol (PubChem CID 20545732) has the molecular formula C32H60N2O and a molecular weight of 488.85 g/mol. Its IUPAC name is 2,6-bis(7-aminotridecan-7-yl)phenol.

Molecular Properties

Compound Name2,6-bis(7-aminotridecan-7-yl)phenol
PubChem CID20545732
Molecular FormulaC32H60N2O
Molecular Weight488.85 g/mol
Exact Mass488.47
IUPAC Name2,6-bis(7-aminotridecan-7-yl)phenol
SMILESCCCCCCC(N)(CCCCCC)c1cccc(C(N)(CCCCCC)CCCCCC)c1O
InChIInChI=1S/C32H60N2O/c1-5-9-13-17-24-31(33,25-18-14-10-6-2)28-22-21-23-29(30(28)35)32(34,26-19-15-11-7-3)27-20-16-12-8-4/h21-23,35H,5-20,24-27,33-34H2,1-4H3
InChIKeyXLJBPGPKHPVHNW-UHFFFAOYSA-N
XLogP9.58
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.85
LogP ≤ 59.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-bis(7-aminotridecan-7-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-bis(2-methyloctan-2-yl)phenol
CID 87300429
19-(2-ethenylphenyl)heptatriacontan-19-amine
CID 67926366
2,6-bis(5-propylnonan-5-yl)phenol
CID 174819612
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
2-(2-docosylphenyl)tetracosan-2-amine
CID 89487184
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
2-phenyldecan-2-amine
CID 63408050
5-(2-butylphenyl)nonan-5-amine;hydrate
CID 173000682
1,1-diphenyldodecan-1-amine
CID 19925745
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(7-aminotridecan-7-yl)phenol?
The IUPAC name of 2,6-bis(7-aminotridecan-7-yl)phenol (CID 20545732) is 2,6-bis(7-aminotridecan-7-yl)phenol.
What is the SMILES notation for 2,6-bis(7-aminotridecan-7-yl)phenol?
The canonical SMILES for 2,6-bis(7-aminotridecan-7-yl)phenol is CCCCCCC(N)(CCCCCC)c1cccc(C(N)(CCCCCC)CCCCCC)c1O.
What is the InChIKey of 2,6-bis(7-aminotridecan-7-yl)phenol?
The InChIKey is XLJBPGPKHPVHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O/c1-5-9-13-17-24-31(33,25-18-14-10-6-2)28-22-21-23-29(30(28)35)32(34,26-19-15-11-7-3)27-20-16-12-8-4/h21-23,35H,5-20,24-27,33-34H2,1-4H3.
What are the key properties of 2,6-bis(7-aminotridecan-7-yl)phenol?
2,6-bis(7-aminotridecan-7-yl)phenol has a molecular weight of 488.85 g/mol, XLogP of 9.58, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(7-aminotridecan-7-yl)phenol is sourced from PubChem (CID 20545732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).