4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol

C15H15BrClNO — CID 103578117

IUPAC4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cc(Br)ccc1O)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO/c1-10(13-4-2-3-5-14(13)17)18-9-11-8-12(16)6-7-15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1
InChIKeyYJZAIFYKECPFLQ-SNVBAGLBSA-N
MW340.65 g/mol
LogP4.66
Rot. Bonds4

About 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol

4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol (PubChem CID 103578117) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
PubChem CID103578117
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@@H](NCc1cc(Br)ccc1O)c1ccccc1Cl
InChIInChI=1S/C15H15BrClNO/c1-10(13-4-2-3-5-14(13)17)18-9-11-8-12(16)6-7-15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1
InChIKeyYJZAIFYKECPFLQ-SNVBAGLBSA-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-[[1-(4-bromo-2-chlorophenyl)ethylamino]methyl]phenol
CID 114331621
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43217091
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 81377623
4-bromo-2-[[1-(2-chlorophenyl)propan-2-ylamino]methyl]phenol
CID 107737675
4-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]benzene-1,3-diol
CID 28649171
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
4-bromo-2-[(1-thiophen-2-ylethylamino)methyl]phenol
CID 113229716
1-(4-bromo-2-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 82774819
4-bromo-2-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 102675102
4-chloro-2-[[1-(2-methylphenyl)ethylamino]methyl]phenol
CID 43203245
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol (CID 103578117) is 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol is C[C@@H](NCc1cc(Br)ccc1O)c1ccccc1Cl.
What is the InChIKey of 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
The InChIKey is YJZAIFYKECPFLQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(13-4-2-3-5-14(13)17)18-9-11-8-12(16)6-7-15(11)19/h2-8,10,18-19H,9H2,1H3/t10-/m1/s1.
What are the key properties of 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol?
4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]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 4-bromo-2-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 103578117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).