2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol

C16H27NO2 — CID 79604182

IUPAC2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
SMILESCCCCCN(c1ccc(C(C)O)c(O)c1)C(C)C
InChIInChI=1S/C16H27NO2/c1-5-6-7-10-17(12(2)3)14-8-9-15(13(4)18)16(19)11-14/h8-9,11-13,18-19H,5-7,10H2,1-4H3
InChIKeyFIFMHWRLJSBIEV-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.85
Rot. Bonds7

About 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol

2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol (PubChem CID 79604182) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
PubChem CID79604182
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
SMILESCCCCCN(c1ccc(C(C)O)c(O)c1)C(C)C
InChIInChI=1S/C16H27NO2/c1-5-6-7-10-17(12(2)3)14-8-9-15(13(4)18)16(19)11-14/h8-9,11-13,18-19H,5-7,10H2,1-4H3
InChIKeyFIFMHWRLJSBIEV-UHFFFAOYSA-N
XLogP3.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
2-(1-aminoethyl)-5-[propan-2-yl(propyl)amino]phenol
CID 79600602
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
CID 79603080
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
5-[butan-2-yl(butyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79590746
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
1-[5-[pentyl(propan-2-yl)amino]-2-pyridinyl]propan-1-ol
CID 112585369
1-[2-[pentyl(propan-2-yl)amino]-3-pyridinyl]ethanol
CID 114055973
4-N-pentyl-4-N-propan-2-yl-2-(trifluoromethyl)benzene-1,4-diamine
CID 63402640
5-[cyclobutyl(3-hydroxypropyl)amino]-2-(1-hydroxyethyl)phenol
CID 102864148
5-bromo-2-[(1S)-1-hydroxyethyl]phenol
CID 102949153

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol (CID 79604182) is 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol is CCCCCN(c1ccc(C(C)O)c(O)c1)C(C)C.
What is the InChIKey of 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol?
The InChIKey is FIFMHWRLJSBIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-6-7-10-17(12(2)3)14-8-9-15(13(4)18)16(19)11-14/h8-9,11-13,18-19H,5-7,10H2,1-4H3.
What are the key properties of 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol?
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol has a molecular weight of 265.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol is sourced from PubChem (CID 79604182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).