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

C17H21NO2 — CID 67671985

IUPAC4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
SMILESC[C@H](Cc1ccccc1)C[C@@](N)(O)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-13(11-14-5-3-2-4-6-14)12-17(18,20)15-7-9-16(19)10-8-15/h2-10,13,19-20H,11-12,18H2,1H3/t13-,17-/m1/s1
InChIKeyFWKLSFOCZQLMMI-CXAGYDPISA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds5

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

4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol (PubChem CID 67671985) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol.

Molecular Properties

Compound Name4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
PubChem CID67671985
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol
SMILESC[C@H](Cc1ccccc1)C[C@@](N)(O)c1ccc(O)cc1
InChIInChI=1S/C17H21NO2/c1-13(11-14-5-3-2-4-6-14)12-17(18,20)15-7-9-16(19)10-8-15/h2-10,13,19-20H,11-12,18H2,1H3/t13-,17-/m1/s1
InChIKeyFWKLSFOCZQLMMI-CXAGYDPISA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2R)-4,4,4-trifluoro-2-methylbutyl]benzene
CID 173350029
2-amino-5-(4-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 151689905
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
5-[(1R,3R)-1-amino-1-hydroxy-3-methyl-5-phenylpentyl]-2-hydroxybenzamide
CID 70021190
2-methyl-3-phenylpropan-1-amine
CID 12672558
4-(3-amino-2-methylpropyl)phenol;ethane
CID 170743294
4-[1-amino-1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
CID 174803609
methyl (2R)-2-[[2-(4-hydroxyphenyl)-2,2-diphenylacetyl]amino]-3-phenylpropanoate
CID 44563450
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
4-[2-[4-[2-(4-hydroxyphenyl)-1-phenylpropan-2-yl]phenyl]-1-phenylpropan-2-yl]phenol
CID 67400035
2,4,5-trimethylhex-4-enylbenzene
CID 20701242

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
The IUPAC name of 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol (CID 67671985) is 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol.
What is the SMILES notation for 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
The canonical SMILES for 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol is C[C@H](Cc1ccccc1)C[C@@](N)(O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
The InChIKey is FWKLSFOCZQLMMI-CXAGYDPISA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(11-14-5-3-2-4-6-14)12-17(18,20)15-7-9-16(19)10-8-15/h2-10,13,19-20H,11-12,18H2,1H3/t13-,17-/m1/s1.
What are the key properties of 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol?
4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol has a molecular weight of 271.36 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,3R)-1-amino-1-hydroxy-3-methyl-4-phenylbutyl]phenol is sourced from PubChem (CID 67671985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).