2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol

C17H21NO3 — CID 171214502

IUPAC2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
SMILESN[C@H](CCCO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C17H21NO3/c18-16(7-4-10-19)15-9-8-14(11-17(15)20)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,19-20H,4,7,10,12,18H2/t16-/m1/s1
InChIKeyFAJWUQQYXWJBCX-MRXNPFEDSA-N
MW287.36 g/mol
LogP2.74
Rot. Bonds7

About 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol

2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol (PubChem CID 171214502) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
PubChem CID171214502
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
SMILESN[C@H](CCCO)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C17H21NO3/c18-16(7-4-10-19)15-9-8-14(11-17(15)20)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,19-20H,4,7,10,12,18H2/t16-/m1/s1
InChIKeyFAJWUQQYXWJBCX-MRXNPFEDSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
3-amino-3-(2-chloro-4-phenylmethoxyphenyl)propan-1-ol
CID 139696671
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171244462
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141
(1S)-1-(2-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 107718661
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
2-phenyl-5-phenylmethoxyphenol
CID 123808909

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol (CID 171214502) is 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol is N[C@H](CCCO)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol?
The InChIKey is FAJWUQQYXWJBCX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO3/c18-16(7-4-10-19)15-9-8-14(11-17(15)20)21-12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,19-20H,4,7,10,12,18H2/t16-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol?
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol has a molecular weight of 287.36 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol is sourced from PubChem (CID 171214502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).