2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol

C14H23NO2 — CID 70556409

IUPAC2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol
SMILESCCCC(O)c1cc(C(C)(C)C)cc(N)c1O
InChIInChI=1S/C14H23NO2/c1-5-6-12(16)10-7-9(14(2,3)4)8-11(15)13(10)17/h7-8,12,16-17H,5-6,15H2,1-4H3
InChIKeyMOXQLAYRBDPWQS-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.11
Rot. Bonds3

About 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol

2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol (PubChem CID 70556409) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol.

Molecular Properties

Compound Name2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol
PubChem CID70556409
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol
SMILESCCCC(O)c1cc(C(C)(C)C)cc(N)c1O
InChIInChI=1S/C14H23NO2/c1-5-6-12(16)10-7-9(14(2,3)4)8-11(15)13(10)17/h7-8,12,16-17H,5-6,15H2,1-4H3
InChIKeyMOXQLAYRBDPWQS-UHFFFAOYSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-6-(1-hydroxyhexyl)phenol
CID 70556848
ethyl 4-[(3-amino-5-tert-butyl-2-hydroxyphenyl)-hydroxymethyl]benzoate
CID 70556076
1-(2-amino-5-methylphenyl)butan-1-ol
CID 112541135
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
2-butan-2-yl-4-tert-butyl-6-tetradecan-2-ylphenol
CID 18961291
2-hydroxy-3-(1-hydroxybutyl)-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 21459942
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
CID 60797367
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2,6-ditert-butylphenol
CID 171162047
1-(4-amino-3-methylphenyl)butan-1-ol
CID 164664307
2,6-bis(2-aminobutyl)-4-tert-butylphenol;dihydrochloride
CID 170889153
3-chloro-4-(1-hydroxybutyl)phenol
CID 154088459

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol?
The IUPAC name of 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol (CID 70556409) is 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol.
What is the SMILES notation for 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol?
The canonical SMILES for 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol is CCCC(O)c1cc(C(C)(C)C)cc(N)c1O.
What is the InChIKey of 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol?
The InChIKey is MOXQLAYRBDPWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-12(16)10-7-9(14(2,3)4)8-11(15)13(10)17/h7-8,12,16-17H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol?
2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol has a molecular weight of 237.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol is sourced from PubChem (CID 70556409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).