2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol

C15H15BrClNO — CID 61390650

IUPAC2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol
SMILESCC(NCc1cccc(Br)c1O)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10(11-4-2-6-13(17)8-11)18-9-12-5-3-7-14(16)15(12)19/h2-8,10,18-19H,9H2,1H3
InChIKeyJETMERPKSPHIPY-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.66
Rot. Bonds4

About 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol

2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol (PubChem CID 61390650) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol
PubChem CID61390650
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol
SMILESCC(NCc1cccc(Br)c1O)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClNO/c1-10(11-4-2-6-13(17)8-11)18-9-12-5-3-7-14(16)15(12)19/h2-8,10,18-19H,9H2,1H3
InChIKeyJETMERPKSPHIPY-UHFFFAOYSA-N
XLogP4.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-[[1-(3-methoxyphenyl)ethylamino]methyl]phenol
CID 61391638
2-bromo-6-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81350041
1-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43178091
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306
(1S)-1-(3-chlorophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 81362672
4-[1-[(3-bromo-2-hydroxyphenyl)methylamino]ethyl]benzonitrile
CID 61390878
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol (CID 61390650) is 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol is CC(NCc1cccc(Br)c1O)c1cccc(Cl)c1.
What is the InChIKey of 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol?
The InChIKey is JETMERPKSPHIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(11-4-2-6-13(17)8-11)18-9-12-5-3-7-14(16)15(12)19/h2-8,10,18-19H,9H2,1H3.
What are the key properties of 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol?
2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol has a molecular weight of 340.65 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[1-(3-chlorophenyl)ethylamino]methyl]phenol is sourced from PubChem (CID 61390650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).