2-(2-aminopropyl)-3-bromo-6-methylphenol

C10H14BrNO — CID 117361743

IUPAC2-(2-aminopropyl)-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(CC(C)N)c1O
InChIInChI=1S/C10H14BrNO/c1-6-3-4-9(11)8(10(6)13)5-7(2)12/h3-4,7,13H,5,12H2,1-2H3
InChIKeyCBCYKEFCPQAGJE-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.35
Rot. Bonds2

About 2-(2-aminopropyl)-3-bromo-6-methylphenol

2-(2-aminopropyl)-3-bromo-6-methylphenol (PubChem CID 117361743) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-(2-aminopropyl)-3-bromo-6-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-3-bromo-6-methylphenol
PubChem CID117361743
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-(2-aminopropyl)-3-bromo-6-methylphenol
SMILESCc1ccc(Br)c(CC(C)N)c1O
InChIInChI=1S/C10H14BrNO/c1-6-3-4-9(11)8(10(6)13)5-7(2)12/h3-4,7,13H,5,12H2,1-2H3
InChIKeyCBCYKEFCPQAGJE-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminopropyl)-4-bromobenzene-1,2-diol
CID 117366974
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
2-[(1-aminocyclopropyl)methyl]-3-bromo-6-methylphenol
CID 117393343
3-bromo-6-methyl-2-[2-(methylamino)ethyl]phenol
CID 84802437
2-[(1S)-1-amino-3-methylbutyl]-3-bromo-6-methylphenol;hydrochloride
CID 171252974
2-(1-amino-2-hydroxyethyl)-3-bromo-6-methylphenol
CID 84803050
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
3-bromo-2-(2-methylpropyl)-6-phosphanylphenol
CID 143486560
5-(2-aminopropyl)-7-bromo-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117464917
(2R)-1-(2,6-dimethylphenyl)propan-2-amine;hydrochloride
CID 175702028
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-bromo-6-methylphenol
CID 131586543

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-3-bromo-6-methylphenol?
The IUPAC name of 2-(2-aminopropyl)-3-bromo-6-methylphenol (CID 117361743) is 2-(2-aminopropyl)-3-bromo-6-methylphenol.
What is the SMILES notation for 2-(2-aminopropyl)-3-bromo-6-methylphenol?
The canonical SMILES for 2-(2-aminopropyl)-3-bromo-6-methylphenol is Cc1ccc(Br)c(CC(C)N)c1O.
What is the InChIKey of 2-(2-aminopropyl)-3-bromo-6-methylphenol?
The InChIKey is CBCYKEFCPQAGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-6-3-4-9(11)8(10(6)13)5-7(2)12/h3-4,7,13H,5,12H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-3-bromo-6-methylphenol?
2-(2-aminopropyl)-3-bromo-6-methylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-3-bromo-6-methylphenol is sourced from PubChem (CID 117361743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).