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

C15H15BrClNO — CID 81353451

IUPAC2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](NCc1ccc(O)c(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO/c1-10(12-3-5-13(17)6-4-12)18-9-11-2-7-15(19)14(16)8-11/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1
InChIKeyLQEIATOEKQJBJR-JTQLQIEISA-N
MW340.65 g/mol
LogP4.66
Rot. Bonds4

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

2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol (PubChem CID 81353451) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
PubChem CID81353451
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol
SMILESC[C@H](NCc1ccc(O)c(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO/c1-10(12-3-5-13(17)6-4-12)18-9-11-2-7-15(19)14(16)8-11/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1
InChIKeyLQEIATOEKQJBJR-JTQLQIEISA-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

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Related Compounds

(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349
2-bromo-4-[[[(1R)-1-phenylethyl]amino]methyl]phenol
CID 81351567
2-bromo-4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]methyl]phenol
CID 60669278
5-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-2-methoxyphenol
CID 28645174
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzene-1,2-diol
CID 81353571
(1S)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-bromophenyl)ethanamine
CID 83230594
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832
2-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]-4-chlorophenol
CID 78921856
2-bromo-4-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenol
CID 114985567
2-fluoro-4-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 96934858
2-bromo-4-[[[(1S)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 81375588

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol (CID 81353451) is 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol is C[C@H](NCc1ccc(O)c(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
The InChIKey is LQEIATOEKQJBJR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-10(12-3-5-13(17)6-4-12)18-9-11-2-7-15(19)14(16)8-11/h2-8,10,18-19H,9H2,1H3/t10-/m0/s1.
What are the key properties of 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol?
2-bromo-4-[[[(1S)-1-(4-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 2-bromo-4-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]phenol is sourced from PubChem (CID 81353451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).