4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol

C19H33NO2 — CID 171162047

IUPAC4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol
SMILESCCC[C@@H](O)[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO2/c1-8-9-15(21)16(20)12-10-13(18(2,3)4)17(22)14(11-12)19(5,6)7/h10-11,15-16,21-22H,8-9,20H2,1-7H3/t15-,16+/m1/s1
InChIKeyFFIWDHPVHRPAFQ-CVEARBPZSA-N
MW307.48 g/mol
LogP4.15
Rot. Bonds4

About 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol

4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol (PubChem CID 171162047) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol
PubChem CID171162047
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol
SMILESCCC[C@@H](O)[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO2/c1-8-9-15(21)16(20)12-10-13(18(2,3)4)17(22)14(11-12)19(5,6)7/h10-11,15-16,21-22H,8-9,20H2,1-7H3/t15-,16+/m1/s1
InChIKeyFFIWDHPVHRPAFQ-CVEARBPZSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S,2R)-1-amino-2-hydroxy-5-methylhexyl]-2,6-ditert-butylphenol;hydrochloride
CID 171266472
4-[(1R,2S)-1-amino-2-hydroxy-4-methylpentyl]-2,6-ditert-butylphenol;hydrochloride
CID 171160620
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171162043
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455
5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-ditert-butylphenol;hydrochloride
CID 171162052
(1R,2S)-1-amino-1-(3,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171160851
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171160625
4-[(1R)-1-aminopropyl]-2,6-ditert-butylphenol;hydrochloride
CID 171197802
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)pentan-2-ol;hydrochloride
CID 171160232
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
2,6-ditert-butyl-4-[1,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)butyl]phenol
CID 22725890

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol (CID 171162047) is 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol is CCC[C@@H](O)[C@@H](N)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol?
The InChIKey is FFIWDHPVHRPAFQ-CVEARBPZSA-N. The full InChI is InChI=1S/C19H33NO2/c1-8-9-15(21)16(20)12-10-13(18(2,3)4)17(22)14(11-12)19(5,6)7/h10-11,15-16,21-22H,8-9,20H2,1-7H3/t15-,16+/m1/s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol?
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol has a molecular weight of 307.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 171162047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).