4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol

C14H23NO3 — CID 113495587

IUPAC4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
SMILESCCC(CCO)NC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10(2)11-5-6-13(17)14(9-11)18-3/h5-6,9-10,12,15-17H,4,7-8H2,1-3H3
InChIKeyLQHPRGBIEBXYML-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.21
Rot. Bonds7

About 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol

4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol (PubChem CID 113495587) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
PubChem CID113495587
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
SMILESCCC(CCO)NC(C)c1ccc(O)c(OC)c1
InChIInChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10(2)11-5-6-13(17)14(9-11)18-3/h5-6,9-10,12,15-17H,4,7-8H2,1-3H3
InChIKeyLQHPRGBIEBXYML-UHFFFAOYSA-N
XLogP2.21
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
CID 43499613
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
3-[1-(4-chloro-3-fluorophenyl)ethylamino]pentan-1-ol
CID 115879368
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
4-[1-[[(1R)-1-(2-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81378019
(1S,2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)butane-1,4-diol
CID 10664426

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol (CID 113495587) is 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol is CCC(CCO)NC(C)c1ccc(O)c(OC)c1.
What is the InChIKey of 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol?
The InChIKey is LQHPRGBIEBXYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-4-12(7-8-16)15-10(2)11-5-6-13(17)14(9-11)18-3/h5-6,9-10,12,15-17H,4,7-8H2,1-3H3.
What are the key properties of 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol?
4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol has a molecular weight of 253.34 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 113495587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).