4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol

C21H21NO2 — CID 171481741

IUPAC4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol
SMILESCc1cc(C)c(N)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C21H21NO2/c1-13-11-14(2)21(22)19(12-13)20(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16/h3-12,20,23-24H,22H2,1-2H3
InChIKeyNTKFIWXVXOURPQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.48
Rot. Bonds3

About 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol

4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol (PubChem CID 171481741) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol
PubChem CID171481741
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol
SMILESCc1cc(C)c(N)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c1
InChIInChI=1S/C21H21NO2/c1-13-11-14(2)21(22)19(12-13)20(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16/h3-12,20,23-24H,22H2,1-2H3
InChIKeyNTKFIWXVXOURPQ-UHFFFAOYSA-N
XLogP4.48
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
(4-amino-3-benzhydryl-5-methylphenyl)methanediol
CID 68628796
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
cobalt;2,4,6-trimethylaniline
CID 159454360
3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
CID 171868212
4-[(5-hydroxy-2-methylphenyl)-(4-hydroxyphenyl)methyl]-5-methylbenzene-1,2-diol
CID 155000449
2-(1-aminoprop-2-enyl)-4,6-dimethylaniline
CID 55282340
4-amino-1-(2-amino-3,5-dimethylphenyl)butane-1,2-diol
CID 171881305
2-[bis(4-methylphenyl)methyl]-5-methylphenol
CID 21115451
1-(2-amino-3,5-dimethylphenyl)-4-bromobutane-1,2-diol
CID 171892057

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol?
The IUPAC name of 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol (CID 171481741) is 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol.
What is the SMILES notation for 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol?
The canonical SMILES for 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol is Cc1cc(C)c(N)c(C(c2ccc(O)cc2)c2ccc(O)cc2)c1.
What is the InChIKey of 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol?
The InChIKey is NTKFIWXVXOURPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-13-11-14(2)21(22)19(12-13)20(15-3-7-17(23)8-4-15)16-5-9-18(24)10-6-16/h3-12,20,23-24H,22H2,1-2H3.
What are the key properties of 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol?
4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol has a molecular weight of 319.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]phenol is sourced from PubChem (CID 171481741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).