2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol

C15H25NO3 — CID 106114744

IUPAC2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
SMILESCCCC(CCO)CNC(C)c1c(O)cccc1O
InChIInChI=1S/C15H25NO3/c1-3-5-12(8-9-17)10-16-11(2)15-13(18)6-4-7-14(15)19/h4,6-7,11-12,16-19H,3,5,8-10H2,1-2H3
InChIKeyDUAVHDPDFPFAPI-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.55
Rot. Bonds8

About 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol

2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol (PubChem CID 106114744) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
PubChem CID106114744
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol
SMILESCCCC(CCO)CNC(C)c1c(O)cccc1O
InChIInChI=1S/C15H25NO3/c1-3-5-12(8-9-17)10-16-11(2)15-13(18)6-4-7-14(15)19/h4,6-7,11-12,16-19H,3,5,8-10H2,1-2H3
InChIKeyDUAVHDPDFPFAPI-UHFFFAOYSA-N
XLogP2.55
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-(2-ethoxyphenyl)ethylamino]methyl]hexan-1-ol
CID 103787460
3-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]hexan-1-ol
CID 103787462
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
3-[[1-(1H-pyrazol-5-yl)ethylamino]methyl]hexan-1-ol
CID 106114233
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]hexan-1-ol
CID 103787400
3-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]hexan-1-ol
CID 103822936
3-[[1-(2,4-dichloro-5-fluorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787427
3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
CID 103948607
4-[[2-(2-hydroxyethyl)pentylamino]methyl]benzene-1,2,3-triol
CID 103953592
2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol (CID 106114744) is 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol is CCCC(CCO)CNC(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol?
The InChIKey is DUAVHDPDFPFAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-5-12(8-9-17)10-16-11(2)15-13(18)6-4-7-14(15)19/h4,6-7,11-12,16-19H,3,5,8-10H2,1-2H3.
What are the key properties of 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol?
2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol has a molecular weight of 267.37 g/mol, XLogP of 2.55, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-hydroxyethyl)pentylamino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 106114744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).