2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol

C15H14BrNO — CID 166437320

IUPAC2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1ccccc1O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c1-11(12-6-4-7-14(16)9-12)17-10-13-5-2-3-8-15(13)18/h2-11,18H,1H3/b17-10+/t11-/m1/s1
InChIKeyKHZGDHPZUNXHRK-JDAJCMJVSA-N
MW304.19 g/mol
LogP4.33
Rot. Bonds3

About 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol

2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol (PubChem CID 166437320) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
PubChem CID166437320
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol
SMILESC[C@@H](/N=C/c1ccccc1O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO/c1-11(12-6-4-7-14(16)9-12)17-10-13-5-2-3-8-15(13)18/h2-11,18H,1H3/b17-10+/t11-/m1/s1
InChIKeyKHZGDHPZUNXHRK-JDAJCMJVSA-N
XLogP4.33
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]iminomethyl]phenol
CID 135758103
2-[1-(4-methoxyphenyl)ethyliminomethyl]phenol
CID 135629555
2-[[(1R,2S)-1,2-bis(3-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
CID 135431645
3-[[(1S)-1-phenylethyl]iminomethyl]naphthalen-2-ol
CID 136773252
chlororuthenium;1-methyl-4-propan-2-ylbenzene;2-[[(1S)-1-phenylethyl]iminomethyl]phenol
CID 135405295
2-[[1-[(2-hydroxyphenyl)methylideneamino]-1-phenylpropan-2-yl]iminomethyl]phenol
CID 154704907
2-[[(2R)-1-hydroxy-4-methylpentan-2-yl]iminomethyl]phenol
CID 137105568
(2S)-2-[(2-hydroxyphenyl)methylideneamino]propanoic acid
CID 135440080
2-[[(1R)-1-phenylethyl]iminomethyl]-5-propoxyphenol
CID 135682513
2-[1-[[(1S)-1-(3-bromophenyl)ethyl]amino]ethyl]phenol
CID 81381845
N'-[1-(3-bromophenyl)ethyl]-N-(1-phenylethenyl)benzenecarboximidamide
CID 145377330
2-[[(2R)-2-[(2-hydroxyphenyl)methylideneamino]-2-phenylethyl]iminomethyl]phenol
CID 136694430

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol?
The IUPAC name of 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol (CID 166437320) is 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol?
The canonical SMILES for 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol is C[C@@H](/N=C/c1ccccc1O)c1cccc(Br)c1.
What is the InChIKey of 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol?
The InChIKey is KHZGDHPZUNXHRK-JDAJCMJVSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-11(12-6-4-7-14(16)9-12)17-10-13-5-2-3-8-15(13)18/h2-11,18H,1H3/b17-10+/t11-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol?
2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol has a molecular weight of 304.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-bromophenyl)ethyl]iminomethyl]phenol is sourced from PubChem (CID 166437320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).