4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol

C17H21NO2 — CID 67671979

IUPAC4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
SMILESCC(Cc1ccccc1)[C@@H](N)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-12(11-13-5-3-2-4-6-13)16(18)17(20)14-7-9-15(19)10-8-14/h2-10,12,16-17,19-20H,11,18H2,1H3/t12?,16-,17-/m1/s1
InChIKeyIGXHAILLNJKCCQ-RIJFORKLSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds5

About 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol

4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol (PubChem CID 67671979) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol.

Molecular Properties

Compound Name4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
PubChem CID67671979
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
SMILESCC(Cc1ccccc1)[C@@H](N)[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-12(11-13-5-3-2-4-6-13)16(18)17(20)14-7-9-15(19)10-8-14/h2-10,12,16-17,19-20H,11,18H2,1H3/t12?,16-,17-/m1/s1
InChIKeyIGXHAILLNJKCCQ-RIJFORKLSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2R)-2-amino-4-(3,4-dimethoxyphenyl)-1-hydroxy-3-methylbutyl]phenol
CID 67673264
2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
CID 70499675
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
4-[4-amino-5-hydroxy-1-(4-hydroxyphenyl)-3-methyl-7-phenylheptyl]phenol;hydrochloride
CID 70186208
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol
CID 71294934
4-(1-chloro-2-phenylethyl)phenol;sulfane
CID 67803217
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209
3-(3-amino-2-methyl-3-phenylpropyl)phenol
CID 113460077

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
The IUPAC name of 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol (CID 67671979) is 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol.
What is the SMILES notation for 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
The canonical SMILES for 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol is CC(Cc1ccccc1)[C@@H](N)[C@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
The InChIKey is IGXHAILLNJKCCQ-RIJFORKLSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(11-13-5-3-2-4-6-13)16(18)17(20)14-7-9-15(19)10-8-14/h2-10,12,16-17,19-20H,11,18H2,1H3/t12?,16-,17-/m1/s1.
What are the key properties of 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol is sourced from PubChem (CID 67671979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).