2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol

C12H18BrNO — CID 83903801

IUPAC2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol
SMILESCCc1cc(O)c(CC(C)CN)cc1Br
InChIInChI=1S/C12H18BrNO/c1-3-9-6-12(15)10(5-11(9)13)4-8(2)7-14/h5-6,8,15H,3-4,7,14H2,1-2H3
InChIKeyPGVZFLAZYVZYGS-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.85
Rot. Bonds4

About 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol

2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol (PubChem CID 83903801) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol
PubChem CID83903801
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol
SMILESCCc1cc(O)c(CC(C)CN)cc1Br
InChIInChI=1S/C12H18BrNO/c1-3-9-6-12(15)10(5-11(9)13)4-8(2)7-14/h5-6,8,15H,3-4,7,14H2,1-2H3
InChIKeyPGVZFLAZYVZYGS-UHFFFAOYSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-2-methylpropyl)-6-bromo-4-methylphenol
CID 83901631
2-(3-amino-2-methylpropyl)-6-bromo-4-chlorophenol
CID 83904589
1-(5-bromo-4-ethyl-2-hydroxyphenyl)-2-methylpropan-1-one
CID 83903585
6-(3-amino-2-methylpropyl)-2-chloro-1-benzofuran-5-ol
CID 83898617
5-amino-1-(2-bromo-4-fluorophenyl)-4-methylpentan-2-one
CID 116596500
3-(6-bromo-3H-benzimidazol-5-yl)-2-methylpropan-1-amine
CID 83902878
4-bromo-5-butyl-2-propylphenol
CID 118092192
3-(5-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropan-1-amine
CID 83904413
methyl 2-amino-3-(5-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 170884169
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
5-(aminomethyl)-4-bromo-2-fluorophenol
CID 118991902

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol?
The IUPAC name of 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol (CID 83903801) is 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol is CCc1cc(O)c(CC(C)CN)cc1Br.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol?
The InChIKey is PGVZFLAZYVZYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-3-9-6-12(15)10(5-11(9)13)4-8(2)7-14/h5-6,8,15H,3-4,7,14H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol?
2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol has a molecular weight of 272.19 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-4-bromo-5-ethylphenol is sourced from PubChem (CID 83903801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).