2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol

C16H17NO2 — CID 171214455

IUPAC2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
SMILESC=C[C@@H](N)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H17NO2/c1-2-15(17)14-9-8-13(10-16(14)18)19-11-12-6-4-3-5-7-12/h2-10,15,18H,1,11,17H2/t15-/m1/s1
InChIKeySASBJFBQKITCFC-OAHLLOKOSA-N
MW255.32 g/mol
LogP3.16
Rot. Bonds5

About 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol

2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol (PubChem CID 171214455) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol.

Molecular Properties

Compound Name2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
PubChem CID171214455
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
SMILESC=C[C@@H](N)c1ccc(OCc2ccccc2)cc1O
InChIInChI=1S/C16H17NO2/c1-2-15(17)14-9-8-13(10-16(14)18)19-11-12-6-4-3-5-7-12/h2-10,15,18H,1,11,17H2/t15-/m1/s1
InChIKeySASBJFBQKITCFC-OAHLLOKOSA-N
XLogP3.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
(1R)-1-(4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 171211164
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
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-2,2-difluoro-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171244462
5-phenylmethoxy-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171295657
(1R)-1-(2-phenylmethoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171214268
1-(2-hydroxy-4-phenylmethoxyphenyl)propane-1,2,3-triol
CID 170819017
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
2,3-dihydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)propanoic acid
CID 170825141

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol?
The IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol (CID 171214455) is 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol.
What is the SMILES notation for 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol?
The canonical SMILES for 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol is C=C[C@@H](N)c1ccc(OCc2ccccc2)cc1O.
What is the InChIKey of 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol?
The InChIKey is SASBJFBQKITCFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-2-15(17)14-9-8-13(10-16(14)18)19-11-12-6-4-3-5-7-12/h2-10,15,18H,1,11,17H2/t15-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol?
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol has a molecular weight of 255.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol is sourced from PubChem (CID 171214455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).