4-[2-(benzylamino)-1-hydroxypropyl]phenol

C16H19NO2 — CID 78021980

IUPAC4-[2-(benzylamino)-1-hydroxypropyl]phenol
SMILESCC(NCc1ccccc1)C(O)c1ccc(O)cc1
InChIInChI=1S/C16H19NO2/c1-12(17-11-13-5-3-2-4-6-13)16(19)14-7-9-15(18)10-8-14/h2-10,12,16-19H,11H2,1H3
InChIKeyZZUWPBKGVKMGOP-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-(benzylamino)-1-hydroxypropyl]phenol

4-[2-(benzylamino)-1-hydroxypropyl]phenol (PubChem CID 78021980) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[2-(benzylamino)-1-hydroxypropyl]phenol.

Molecular Properties

Compound Name4-[2-(benzylamino)-1-hydroxypropyl]phenol
PubChem CID78021980
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-[2-(benzylamino)-1-hydroxypropyl]phenol
SMILESCC(NCc1ccccc1)C(O)c1ccc(O)cc1
InChIInChI=1S/C16H19NO2/c1-12(17-11-13-5-3-2-4-6-13)16(19)14-7-9-15(18)10-8-14/h2-10,12,16-19H,11H2,1H3
InChIKeyZZUWPBKGVKMGOP-UHFFFAOYSA-N
XLogP2.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
3-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
CID 68746281
(1R,2S)-2-(naphthalen-2-ylmethylamino)-1-phenylpropan-1-ol
CID 101460872
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
(2S,3R)-3-(benzylamino)butane-1,2-diol
CID 130641208
4-[2-(benzylamino)propyl]phenol;hydrobromide
CID 54609236
1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
4-[(1R,2S)-2-[[(2R)-1-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)propan-2-yl]amino]-1-hydroxypropyl]phenol
CID 164517017
4-[(1R)-1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol chloride
CID 45114085

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-1-hydroxypropyl]phenol?
The IUPAC name of 4-[2-(benzylamino)-1-hydroxypropyl]phenol (CID 78021980) is 4-[2-(benzylamino)-1-hydroxypropyl]phenol.
What is the SMILES notation for 4-[2-(benzylamino)-1-hydroxypropyl]phenol?
The canonical SMILES for 4-[2-(benzylamino)-1-hydroxypropyl]phenol is CC(NCc1ccccc1)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-[2-(benzylamino)-1-hydroxypropyl]phenol?
The InChIKey is ZZUWPBKGVKMGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12(17-11-13-5-3-2-4-6-13)16(19)14-7-9-15(18)10-8-14/h2-10,12,16-19H,11H2,1H3.
What are the key properties of 4-[2-(benzylamino)-1-hydroxypropyl]phenol?
4-[2-(benzylamino)-1-hydroxypropyl]phenol has a molecular weight of 257.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-1-hydroxypropyl]phenol is sourced from PubChem (CID 78021980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).