2,3-bis(dipentylamino)phenol

C26H48N2O — CID 67225665

IUPAC2,3-bis(dipentylamino)phenol
SMILESCCCCCN(CCCCC)c1cccc(O)c1N(CCCCC)CCCCC
InChIInChI=1S/C26H48N2O/c1-5-9-13-20-27(21-14-10-6-2)24-18-17-19-25(29)26(24)28(22-15-11-7-3)23-16-12-8-4/h17-19,29H,5-16,20-23H2,1-4H3
InChIKeyDHBVYLXHKUBMGU-UHFFFAOYSA-N
MW404.68 g/mol
LogP7.77
Rot. Bonds18

About 2,3-bis(dipentylamino)phenol

2,3-bis(dipentylamino)phenol (PubChem CID 67225665) has the molecular formula C26H48N2O and a molecular weight of 404.68 g/mol. Its IUPAC name is 2,3-bis(dipentylamino)phenol.

Molecular Properties

Compound Name2,3-bis(dipentylamino)phenol
PubChem CID67225665
Molecular FormulaC26H48N2O
Molecular Weight404.68 g/mol
Exact Mass404.38
IUPAC Name2,3-bis(dipentylamino)phenol
SMILESCCCCCN(CCCCC)c1cccc(O)c1N(CCCCC)CCCCC
InChIInChI=1S/C26H48N2O/c1-5-9-13-20-27(21-14-10-6-2)24-18-17-19-25(29)26(24)28(22-15-11-7-3)23-16-12-8-4/h17-19,29H,5-16,20-23H2,1-4H3
InChIKeyDHBVYLXHKUBMGU-UHFFFAOYSA-N
XLogP7.77
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.68
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3-bis(dipentylamino)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-(dioctadecylamino)phenol
CID 67178725
1-N,1-N,2-N,2-N-tetrapentyl-3-phenylbenzene-1,2-diamine
CID 69085127
[2,3-bis[di(undecyl)amino]phenyl]-phenylmethanone
CID 18366238
3-[butyl(ethyl)amino]-2-methylphenol
CID 57208066
2-chloro-N,N-dihexylaniline
CID 139723528
4-N,4-N,5-N,5-N-tetraheptyl-9H-fluorene-4,5-diamine
CID 67058500
2-[3-[2-(dipentylamino)phenyl]phenyl]-N,N-dipentylaniline
CID 126582498
2,4-bis[10-(dioctylamino)-1-hydroxyanthracen-9-yl]cyclobutane-1,3-diol
CID 154619762
2-[amino(hexyl)amino]phenol
CID 175507997
4-methyl-3-(2-methylphenyl)-1-N,1-N,2-N,2-N-tetrapentylbenzene-1,2-diamine
CID 67741411
N,N-dibutyl-2,6-dimethylaniline
CID 100917562
2-methoxy-N,N-di(pentadecyl)aniline
CID 139723453

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(dipentylamino)phenol?
The IUPAC name of 2,3-bis(dipentylamino)phenol (CID 67225665) is 2,3-bis(dipentylamino)phenol.
What is the SMILES notation for 2,3-bis(dipentylamino)phenol?
The canonical SMILES for 2,3-bis(dipentylamino)phenol is CCCCCN(CCCCC)c1cccc(O)c1N(CCCCC)CCCCC.
What is the InChIKey of 2,3-bis(dipentylamino)phenol?
The InChIKey is DHBVYLXHKUBMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N2O/c1-5-9-13-20-27(21-14-10-6-2)24-18-17-19-25(29)26(24)28(22-15-11-7-3)23-16-12-8-4/h17-19,29H,5-16,20-23H2,1-4H3.
What are the key properties of 2,3-bis(dipentylamino)phenol?
2,3-bis(dipentylamino)phenol has a molecular weight of 404.68 g/mol, XLogP of 7.77, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(dipentylamino)phenol is sourced from PubChem (CID 67225665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).