4-[(1-hydroxypropan-2-ylamino)methyl]phenol

C10H15NO2 — CID 43499774

IUPAC4-[(1-hydroxypropan-2-ylamino)methyl]phenol
SMILESCC(CO)NCc1ccc(O)cc1
InChIInChI=1S/C10H15NO2/c1-8(7-12)11-6-9-2-4-10(13)5-3-9/h2-5,8,11-13H,6-7H2,1H3
InChIKeyBEPMWPMWVULHAO-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.86
Rot. Bonds4

About 4-[(1-hydroxypropan-2-ylamino)methyl]phenol

4-[(1-hydroxypropan-2-ylamino)methyl]phenol (PubChem CID 43499774) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[(1-hydroxypropan-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-[(1-hydroxypropan-2-ylamino)methyl]phenol
PubChem CID43499774
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-[(1-hydroxypropan-2-ylamino)methyl]phenol
SMILESCC(CO)NCc1ccc(O)cc1
InChIInChI=1S/C10H15NO2/c1-8(7-12)11-6-9-2-4-10(13)5-3-9/h2-5,8,11-13H,6-7H2,1H3
InChIKeyBEPMWPMWVULHAO-UHFFFAOYSA-N
XLogP0.86
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
CID 114985652
2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
CID 165446376
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
4-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]phenol
CID 61240678
4-[2-[(4-methylphenyl)methylamino]propyl]phenol
CID 78943624
4-[[1-(4-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 43677594
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[(3,3-dimethylbutan-2-ylamino)methyl]phenol
CID 115715682

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxypropan-2-ylamino)methyl]phenol?
The IUPAC name of 4-[(1-hydroxypropan-2-ylamino)methyl]phenol (CID 43499774) is 4-[(1-hydroxypropan-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-[(1-hydroxypropan-2-ylamino)methyl]phenol?
The canonical SMILES for 4-[(1-hydroxypropan-2-ylamino)methyl]phenol is CC(CO)NCc1ccc(O)cc1.
What is the InChIKey of 4-[(1-hydroxypropan-2-ylamino)methyl]phenol?
The InChIKey is BEPMWPMWVULHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-8(7-12)11-6-9-2-4-10(13)5-3-9/h2-5,8,11-13H,6-7H2,1H3.
What are the key properties of 4-[(1-hydroxypropan-2-ylamino)methyl]phenol?
4-[(1-hydroxypropan-2-ylamino)methyl]phenol has a molecular weight of 181.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxypropan-2-ylamino)methyl]phenol is sourced from PubChem (CID 43499774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).