2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol

C14H22BrNO — CID 117483916

IUPAC2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
SMILESCC(CCN)c1cc(Br)cc(C(C)(C)C)c1O
InChIInChI=1S/C14H22BrNO/c1-9(5-6-16)11-7-10(15)8-12(13(11)17)14(2,3)4/h7-9,17H,5-6,16H2,1-4H3
InChIKeyJINLGKZNRBLFNK-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.90
Rot. Bonds3

About 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol

2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol (PubChem CID 117483916) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
PubChem CID117483916
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
SMILESCC(CCN)c1cc(Br)cc(C(C)(C)C)c1O
InChIInChI=1S/C14H22BrNO/c1-9(5-6-16)11-7-10(15)8-12(13(11)17)14(2,3)4/h7-9,17H,5-6,16H2,1-4H3
InChIKeyJINLGKZNRBLFNK-UHFFFAOYSA-N
XLogP3.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[(1S)-1,3-diaminopropyl]-6-(trifluoromethyl)phenol;hydrochloride
CID 171255666
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
2,6-ditert-butyl-4-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171197796
2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
CID 117461468
2-tert-butyl-4-methyl-6-[(2R)-pentan-2-yl]phenol
CID 90297655
ethyl (3S)-6-amino-3-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-5-oxohexanoate
CID 157148760
2-(1-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 83900254
2-[(1S)-1-aminoethyl]-4-bromo-6-(trifluoromethyl)phenol;hydrochloride
CID 171255621
3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
ethyl 3-[(2-aminoacetyl)amino]-3-(5-bromo-3-tert-butyl-2-hydroxyphenyl)propanoate
CID 130349957
4-(2-aminoethyl)-2-[1-[5-(2-aminoethyl)-3-tert-butyl-2-hydroxyphenyl]butyl]-6-tert-butylphenol
CID 139990799
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol (CID 117483916) is 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol is CC(CCN)c1cc(Br)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol?
The InChIKey is JINLGKZNRBLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-9(5-6-16)11-7-10(15)8-12(13(11)17)14(2,3)4/h7-9,17H,5-6,16H2,1-4H3.
What are the key properties of 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol?
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol has a molecular weight of 300.24 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol is sourced from PubChem (CID 117483916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).