4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol

C13H21NO2 — CID 43742567

IUPAC4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
SMILESCOC(C)(C)CC(C)Nc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(9-13(2,3)16-4)14-11-5-7-12(15)8-6-11/h5-8,10,14-15H,9H2,1-4H3
InChIKeyHBRXBLPIDRBNPN-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.01
Rot. Bonds5

About 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol

4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol (PubChem CID 43742567) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
PubChem CID43742567
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
SMILESCOC(C)(C)CC(C)Nc1ccc(O)cc1
InChIInChI=1S/C13H21NO2/c1-10(9-13(2,3)16-4)14-11-5-7-12(15)8-6-11/h5-8,10,14-15H,9H2,1-4H3
InChIKeyHBRXBLPIDRBNPN-UHFFFAOYSA-N
XLogP3.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-4-methylpentan-2-yl)-4-propoxyaniline
CID 62329167
4-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43734097
6-methoxy-N-(4-methoxy-4-methylpentan-2-yl)pyridin-3-amine
CID 43146958
3-iodo-N-(4-methoxy-4-methylpentan-2-yl)-4-methylaniline
CID 43716067
3-(methoxymethyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43672004
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
N-(4-methoxy-4-methylpentan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43147203
N-[2-chloro-4-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]acetamide
CID 43690114
4-bromo-N-(4-methoxy-4-methylpentan-2-yl)-3-nitroaniline
CID 79767299
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
4-[(4-methoxy-4-methylpentan-2-yl)amino]-2,5-dimethylphenol
CID 106953814
N-[3-[(4-methoxy-4-methylpentan-2-yl)amino]phenyl]methanesulfonamide
CID 43147236

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol?
The IUPAC name of 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol (CID 43742567) is 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol.
What is the SMILES notation for 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol?
The canonical SMILES for 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol is COC(C)(C)CC(C)Nc1ccc(O)cc1.
What is the InChIKey of 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol?
The InChIKey is HBRXBLPIDRBNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-13(2,3)16-4)14-11-5-7-12(15)8-6-11/h5-8,10,14-15H,9H2,1-4H3.
What are the key properties of 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol?
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol has a molecular weight of 223.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol is sourced from PubChem (CID 43742567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).