4-[(1R)-1-aminoethyl]-2-bromophenol

C8H10BrNO — CID 78938003

IUPAC4-[(1R)-1-aminoethyl]-2-bromophenol
SMILESC[C@@H](N)c1ccc(O)c(Br)c1
InChIInChI=1S/C8H10BrNO/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5,11H,10H2,1H3/t5-/m1/s1
InChIKeyJSYOICGOTJHSPH-RXMQYKEDSA-N
MW216.08 g/mol
LogP2.17
Rot. Bonds1

About 4-[(1R)-1-aminoethyl]-2-bromophenol

4-[(1R)-1-aminoethyl]-2-bromophenol (PubChem CID 78938003) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-2-bromophenol.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-2-bromophenol
PubChem CID78938003
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name4-[(1R)-1-aminoethyl]-2-bromophenol
SMILESC[C@@H](N)c1ccc(O)c(Br)c1
InChIInChI=1S/C8H10BrNO/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5,11H,10H2,1H3/t5-/m1/s1
InChIKeyJSYOICGOTJHSPH-RXMQYKEDSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
4-[(1R)-1-aminoethyl]-2-methylphenol
CID 59272894
1-(3-bromo-4-iodophenyl)ethanamine
CID 126971704
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
2-amino-5-[(1R)-1-aminoethyl]phenol
CID 55297300
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-bromo-4-[hydroxy(methoxy)methyl]phenol
CID 139576076
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromophenol?
The IUPAC name of 4-[(1R)-1-aminoethyl]-2-bromophenol (CID 78938003) is 4-[(1R)-1-aminoethyl]-2-bromophenol.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-2-bromophenol?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-2-bromophenol is C[C@@H](N)c1ccc(O)c(Br)c1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-2-bromophenol?
The InChIKey is JSYOICGOTJHSPH-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-5(10)6-2-3-8(11)7(9)4-6/h2-5,11H,10H2,1H3/t5-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-2-bromophenol?
4-[(1R)-1-aminoethyl]-2-bromophenol has a molecular weight of 216.08 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-2-bromophenol is sourced from PubChem (CID 78938003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).