5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol

C14H23NO3 — CID 107706656

IUPAC5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol
SMILESCOCC(NC(C)c1cc(O)cc(O)c1)C(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)14(8-18-4)15-10(3)11-5-12(16)7-13(17)6-11/h5-7,9-10,14-17H,8H2,1-4H3
InChIKeyOMGNTUIGIVPFRM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds6

About 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol

5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol (PubChem CID 107706656) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol
PubChem CID107706656
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol
SMILESCOCC(NC(C)c1cc(O)cc(O)c1)C(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)14(8-18-4)15-10(3)11-5-12(16)7-13(17)6-11/h5-7,9-10,14-17H,8H2,1-4H3
InChIKeyOMGNTUIGIVPFRM-UHFFFAOYSA-N
XLogP2.42
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol
CID 106348788
1-methoxy-3-methyl-N-[(1R)-1-pyridin-4-ylethyl]butan-2-amine
CID 81406317
1-methoxy-3-methyl-N-(1-pyridin-4-ylethyl)butan-2-amine
CID 65047820
N-[(1S)-1-(3-bromophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 81382071
N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047182
N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
CID 65047227
N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047890
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
ethyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanoate
CID 107706335
5-[1-[4-(2-methoxyethoxy)butylamino]ethyl]benzene-1,3-diol
CID 107707175
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047343
5-[1-(but-3-en-2-ylamino)ethyl]benzene-1,3-diol
CID 107707220

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol (CID 107706656) is 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol is COCC(NC(C)c1cc(O)cc(O)c1)C(C)C.
What is the InChIKey of 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol?
The InChIKey is OMGNTUIGIVPFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)14(8-18-4)15-10(3)11-5-12(16)7-13(17)6-11/h5-7,9-10,14-17H,8H2,1-4H3.
What are the key properties of 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol?
5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol has a molecular weight of 253.34 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107706656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).