2,3-bis(pentylamino)phenol

C16H28N2O — CID 67225454

IUPAC2,3-bis(pentylamino)phenol
SMILESCCCCCNc1cccc(O)c1NCCCCC
InChIInChI=1S/C16H28N2O/c1-3-5-7-12-17-14-10-9-11-15(19)16(14)18-13-8-6-4-2/h9-11,17-19H,3-8,12-13H2,1-2H3
InChIKeyZEKORYUGKAAFFL-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.60
Rot. Bonds10

About 2,3-bis(pentylamino)phenol

2,3-bis(pentylamino)phenol (PubChem CID 67225454) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,3-bis(pentylamino)phenol.

Molecular Properties

Compound Name2,3-bis(pentylamino)phenol
PubChem CID67225454
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2,3-bis(pentylamino)phenol
SMILESCCCCCNc1cccc(O)c1NCCCCC
InChIInChI=1S/C16H28N2O/c1-3-5-7-12-17-14-10-9-11-15(19)16(14)18-13-8-6-4-2/h9-11,17-19H,3-8,12-13H2,1-2H3
InChIKeyZEKORYUGKAAFFL-UHFFFAOYSA-N
XLogP4.60
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Edrophonium
CID 3202
o-(1-Piperazinyl)phenol
CID 70530
N,N-Dibutyl-3-aminophenol
CID 601234
3-Ethylaminophenol
CID 578991
1-(3-Hydroxyphenyl)-4-propylpiperazine
CID 22397846
o-(Methylamino)phenol
CID 69138
2-[(3-Hydroxyphenyl)amino]acetamide
CID 81649
1-(3-Hydroxyphenyl)piperazine
CID 2736597
3-(Methylamino)phenol
CID 10820513
3-[2-(4-Phenylpiperazin-1-yl)ethylamino]phenol
CID 90656675
3-[3-(4-Phenylpiperazin-1-yl)propylamino]phenol
CID 90656682
3-(4-Methylpiperazin-1-yl)phenol
CID 11011455

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(pentylamino)phenol?
The IUPAC name of 2,3-bis(pentylamino)phenol (CID 67225454) is 2,3-bis(pentylamino)phenol.
What is the SMILES notation for 2,3-bis(pentylamino)phenol?
The canonical SMILES for 2,3-bis(pentylamino)phenol is CCCCCNc1cccc(O)c1NCCCCC.
What is the InChIKey of 2,3-bis(pentylamino)phenol?
The InChIKey is ZEKORYUGKAAFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-5-7-12-17-14-10-9-11-15(19)16(14)18-13-8-6-4-2/h9-11,17-19H,3-8,12-13H2,1-2H3.
What are the key properties of 2,3-bis(pentylamino)phenol?
2,3-bis(pentylamino)phenol has a molecular weight of 264.41 g/mol, XLogP of 4.60, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(pentylamino)phenol is sourced from PubChem (CID 67225454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).