4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol

C12H19NO3 — CID 43499613

IUPAC4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC(C)CO)ccc1O
InChIInChI=1S/C12H19NO3/c1-8(7-14)13-9(2)10-4-5-11(15)12(6-10)16-3/h4-6,8-9,13-15H,7H2,1-3H3
InChIKeySOFLBLOROVXOQH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.43
Rot. Bonds5

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

4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol (PubChem CID 43499613) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
PubChem CID43499613
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)NC(C)CO)ccc1O
InChIInChI=1S/C12H19NO3/c1-8(7-14)13-9(2)10-4-5-11(15)12(6-10)16-3/h4-6,8-9,13-15H,7H2,1-3H3
InChIKeySOFLBLOROVXOQH-UHFFFAOYSA-N
XLogP1.43
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1-hydroxypentan-3-ylamino)ethyl]-2-methoxyphenol
CID 113495587
4-[1-(1-cyclopropylpropan-2-ylamino)ethyl]-2-methoxyphenol
CID 63989091
2-methoxy-4-[1-(3-methylbutan-2-ylamino)ethyl]phenol
CID 43131291
2-methoxy-4-[1-(2-methylpentan-3-ylamino)ethyl]phenol
CID 54954546
4-[1-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 81355826
2-methoxy-4-[1-(1-phenylpropylamino)ethyl]phenol
CID 62304525
2-methoxy-4-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]phenol
CID 81367090
2-[1-(3,4-dimethoxyphenyl)ethylamino]butan-1-ol
CID 43207184
(2R)-2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]propan-1-ol
CID 93082546
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol (CID 43499613) is 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol is COc1cc(C(C)NC(C)CO)ccc1O.
What is the InChIKey of 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol?
The InChIKey is SOFLBLOROVXOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8(7-14)13-9(2)10-4-5-11(15)12(6-10)16-3/h4-6,8-9,13-15H,7H2,1-3H3.
What are the key properties of 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol?
4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol has a molecular weight of 225.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxypropan-2-ylamino)ethyl]-2-methoxyphenol is sourced from PubChem (CID 43499613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).