4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol

C20H33NO — CID 171197827

IUPAC4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc([C@H](N)C2CCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H33NO/c1-19(2,3)15-11-14(17(21)13-9-7-8-10-13)12-16(18(15)22)20(4,5)6/h11-13,17,22H,7-10,21H2,1-6H3/t17-/m1/s1
InChIKeyAJYPESCQALNLSI-QGZVFWFLSA-N
MW303.49 g/mol
LogP5.18
Rot. Bonds2

About 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol

4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol (PubChem CID 171197827) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol
PubChem CID171197827
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc([C@H](N)C2CCCC2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H33NO/c1-19(2,3)15-11-14(17(21)13-9-7-8-10-13)12-16(18(15)22)20(4,5)6/h11-13,17,22H,7-10,21H2,1-6H3/t17-/m1/s1
InChIKeyAJYPESCQALNLSI-QGZVFWFLSA-N
XLogP5.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(S)-amino(cyclohexyl)methyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217339
4-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160610
4-[(1R)-1-amino-2-cyclopropylethyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197816
2,6-ditert-butyl-4-[cyclohexyl(phenyl)methyl]phenol
CID 132820450
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
2,6-ditert-butyl-4-[cyclopentyl-(4-methoxyphenyl)methyl]phenol
CID 132820452
2-[(R)-amino(cyclopropyl)methyl]-4,6-ditert-butylphenol;hydrochloride
CID 171201914
4-[(R)-amino(cyclopentyl)methyl]benzene-1,2-diol
CID 131343814
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol
CID 130731094
2,6-ditert-butyl-4-[(S)-cyclohexyl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171272272
cyclooctyl-(3,5-dimethoxyphenyl)methanamine
CID 80603608

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol (CID 171197827) is 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol is CC(C)(C)c1cc([C@H](N)C2CCCC2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol?
The InChIKey is AJYPESCQALNLSI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H33NO/c1-19(2,3)15-11-14(17(21)13-9-7-8-10-13)12-16(18(15)22)20(4,5)6/h11-13,17,22H,7-10,21H2,1-6H3/t17-/m1/s1.
What are the key properties of 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol?
4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol has a molecular weight of 303.49 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 171197827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).