4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol

C14H21NO — CID 117313202

IUPAC4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1/C=C/CN
InChIInChI=1S/C14H21NO/c1-10-8-13(16)12(14(2,3)4)9-11(10)6-5-7-15/h5-6,8-9,16H,7,15H2,1-4H3/b6-5+
InChIKeyGPJQEPWAJHYAOL-AATRIKPKSA-N
MW219.33 g/mol
LogP2.97
Rot. Bonds2

About 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol

4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol (PubChem CID 117313202) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol
PubChem CID117313202
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol
SMILESCc1cc(O)c(C(C)(C)C)cc1/C=C/CN
InChIInChI=1S/C14H21NO/c1-10-8-13(16)12(14(2,3)4)9-11(10)6-5-7-15/h5-6,8-9,16H,7,15H2,1-4H3/b6-5+
InChIKeyGPJQEPWAJHYAOL-AATRIKPKSA-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 ≤ 500219.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol 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

5-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-4-methylphenol
CID 117313201
aluminum;5-tert-butyl-4-hydroxy-2-methylbenzaldehyde;trichloride
CID 158459499
(E)-3-(5-tert-butyl-2-methylphenyl)prop-2-en-1-amine
CID 82282686
6-tert-butyl-2-[(E)-2-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethenyl]-3-methylphenol
CID 21188283
2,4-ditert-butyl-5-methylphenol
CID 10346
4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
CID 117339002
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
(E)-3-(4-tert-butyl-2,6-dimethylphenyl)prop-2-en-1-amine
CID 82285295
2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
CID 117316656
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
3-(3-aminoprop-1-enyl)-4-methylbenzoic acid
CID 169463798
3-[(E)-3-aminoprop-1-enyl]-2-methylphenol
CID 117276201

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol (CID 117313202) is 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol is Cc1cc(O)c(C(C)(C)C)cc1/C=C/CN.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol?
The InChIKey is GPJQEPWAJHYAOL-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-8-13(16)12(14(2,3)4)9-11(10)6-5-7-15/h5-6,8-9,16H,7,15H2,1-4H3/b6-5+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol?
4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol has a molecular weight of 219.33 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 4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol is sourced from PubChem (CID 117313202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).