5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol

C14H23NO3 — CID 106348788

IUPAC5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC(CCO)C(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C14H23NO3/c1-9(2)14(4-5-16)15-10(3)11-6-12(17)8-13(18)7-11/h6-10,14-18H,4-5H2,1-3H3
InChIKeyNZCUHCPRCIEZOL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.16
Rot. Bonds6

About 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol

5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol (PubChem CID 106348788) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol
PubChem CID106348788
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol
SMILESCC(NC(CCO)C(C)C)c1cc(O)cc(O)c1
InChIInChI=1S/C14H23NO3/c1-9(2)14(4-5-16)15-10(3)11-6-12(17)8-13(18)7-11/h6-10,14-18H,4-5H2,1-3H3
InChIKeyNZCUHCPRCIEZOL-UHFFFAOYSA-N
XLogP2.16
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol
CID 107706656
3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 103717148
4-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzonitrile
CID 103921571
3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
CID 106348700
3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylamino]-4-methylpentan-1-ol
CID 103786472
3-fluoro-5-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]phenol
CID 104879239
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
5-[1-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzene-1,3-diol
CID 107706519
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
5-[1-(but-3-en-2-ylamino)ethyl]benzene-1,3-diol
CID 107707220
3-methyl-2-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 79253731
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol (CID 106348788) is 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol is CC(NC(CCO)C(C)C)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol?
The InChIKey is NZCUHCPRCIEZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)14(4-5-16)15-10(3)11-6-12(17)8-13(18)7-11/h6-10,14-18H,4-5H2,1-3H3.
What are the key properties of 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol?
5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol has a molecular weight of 253.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 106348788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).