2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride

C20H26ClNO2 — CID 171214482

IUPAC2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(OCc2ccccc2)cc1O)C1CCCCC1
InChIInChI=1S/C20H25NO2.ClH/c21-20(16-9-5-2-6-10-16)18-12-11-17(13-19(18)22)23-14-15-7-3-1-4-8-15;/h1,3-4,7-8,11-13,16,20,22H,2,5-6,9-10,14,21H2;1H/t20-;/m1./s1
InChIKeyFKXRUUVQCYQBKG-VEIFNGETSA-N
MW347.89 g/mol
LogP4.97
Rot. Bonds5

About 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride

2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride (PubChem CID 171214482) has the molecular formula C20H26ClNO2 and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
PubChem CID171214482
Molecular FormulaC20H26ClNO2
Molecular Weight347.89 g/mol
Exact Mass347.17
IUPAC Name2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
SMILESCl.N[C@@H](c1ccc(OCc2ccccc2)cc1O)C1CCCCC1
InChIInChI=1S/C20H25NO2.ClH/c21-20(16-9-5-2-6-10-16)18-12-11-17(13-19(18)22)23-14-15-7-3-1-4-8-15;/h1,3-4,7-8,11-13,16,20,22H,2,5-6,9-10,14,21H2;1H/t20-;/m1./s1
InChIKeyFKXRUUVQCYQBKG-VEIFNGETSA-N
XLogP4.97
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 4210839
2-[(R)-amino(cyclopentyl)methyl]-5-methoxyphenol;hydrochloride
CID 171200665
2-[(S)-cyclopentyl(piperazin-1-yl)methyl]-5-phenylmethoxyphenol;dihydrochloride
CID 171283049
2-[(1R)-1-amino-2-hydroxyethyl]-5-phenylmethoxyphenol;hydrochloride
CID 171234127
2-[(1R)-1-aminopropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214454
(S)-cyclopentyl-(2-phenylmethoxyphenyl)methanamine
CID 171233921
2-[(1R)-1-amino-3-fluoropropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214474
2-[(1R)-1-amino-3-hydroxypropyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214501
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
2-[(1R)-1-aminoprop-2-enyl]-5-phenylmethoxyphenol
CID 171214455
(S)-cyclobutyl-(2-phenylmethoxyphenyl)methanamine
CID 171233917
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride?
The IUPAC name of 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride (CID 171214482) is 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride?
The canonical SMILES for 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride is Cl.N[C@@H](c1ccc(OCc2ccccc2)cc1O)C1CCCCC1.
What is the InChIKey of 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride?
The InChIKey is FKXRUUVQCYQBKG-VEIFNGETSA-N. The full InChI is InChI=1S/C20H25NO2.ClH/c21-20(16-9-5-2-6-10-16)18-12-11-17(13-19(18)22)23-14-15-7-3-1-4-8-15;/h1,3-4,7-8,11-13,16,20,22H,2,5-6,9-10,14,21H2;1H/t20-;/m1./s1.
What are the key properties of 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride?
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride has a molecular weight of 347.89 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride is sourced from PubChem (CID 171214482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).