2-(2-amino-2-methylpropyl)-4-tert-butylphenol

C14H23NO — CID 117317076

IUPAC2-(2-amino-2-methylpropyl)-4-tert-butylphenol
SMILESCC(C)(N)Cc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C14H23NO/c1-13(2,3)11-6-7-12(16)10(8-11)9-14(4,5)15/h6-8,16H,9,15H2,1-5H3
InChIKeyLRIOVOCELOEMAR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.97
Rot. Bonds2

About 2-(2-amino-2-methylpropyl)-4-tert-butylphenol

2-(2-amino-2-methylpropyl)-4-tert-butylphenol (PubChem CID 117317076) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-4-tert-butylphenol.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-4-tert-butylphenol
PubChem CID117317076
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-(2-amino-2-methylpropyl)-4-tert-butylphenol
SMILESCC(C)(N)Cc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C14H23NO/c1-13(2,3)11-6-7-12(16)10(8-11)9-14(4,5)15/h6-8,16H,9,15H2,1-5H3
InChIKeyLRIOVOCELOEMAR-UHFFFAOYSA-N
XLogP2.97
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-amino-2-methylpropyl)-4-tert-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

2-(2-amino-2-methylpropyl)-4-propan-2-ylphenol
CID 117296704
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
CID 15322598
2-(2-amino-2-methylpropyl)phenol
CID 22723438
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
2-(2-amino-2-methylpropyl)-4-pyrrolidin-1-ylphenol
CID 117341092
2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
CID 12761847
4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1098143
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
3-(2-amino-2-methylpropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313360
4-tert-butyl-2-[(4-methoxyphenyl)methyl]phenol
CID 150183157
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-4-tert-butylphenol?
The IUPAC name of 2-(2-amino-2-methylpropyl)-4-tert-butylphenol (CID 117317076) is 2-(2-amino-2-methylpropyl)-4-tert-butylphenol.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-4-tert-butylphenol?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-4-tert-butylphenol is CC(C)(N)Cc1cc(C(C)(C)C)ccc1O.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-4-tert-butylphenol?
The InChIKey is LRIOVOCELOEMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)11-6-7-12(16)10(8-11)9-14(4,5)15/h6-8,16H,9,15H2,1-5H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-4-tert-butylphenol?
2-(2-amino-2-methylpropyl)-4-tert-butylphenol has a molecular weight of 221.34 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-4-tert-butylphenol is sourced from PubChem (CID 117317076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).