[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol

C12H15BrClNO2 — CID 106824031

IUPAC[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol
SMILESCOC1CC(CO)(Nc2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H15BrClNO2/c1-17-9-5-12(6-9,7-16)15-8-2-3-11(14)10(13)4-8/h2-4,9,15-16H,5-7H2,1H3
InChIKeyOSCXHGUHAKURDL-UHFFFAOYSA-N
MW320.61 g/mol
LogP3.05
Rot. Bonds4

About [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol

[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol (PubChem CID 106824031) has the molecular formula C12H15BrClNO2 and a molecular weight of 320.61 g/mol. Its IUPAC name is [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol
PubChem CID106824031
Molecular FormulaC12H15BrClNO2
Molecular Weight320.61 g/mol
Exact Mass319.00
IUPAC Name[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol
SMILESCOC1CC(CO)(Nc2ccc(Cl)c(Br)c2)C1
InChIInChI=1S/C12H15BrClNO2/c1-17-9-5-12(6-9,7-16)15-8-2-3-11(14)10(13)4-8/h2-4,9,15-16H,5-7H2,1H3
InChIKeyOSCXHGUHAKURDL-UHFFFAOYSA-N
XLogP3.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol 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

[1-(4-chloroanilino)-3-methoxycyclobutyl]methanol
CID 106824002
[1-(3-bromo-4-chloroanilino)-2,4,4-trimethylcyclopentyl]methanol
CID 106664028
methyl 1-(3-bromo-4-chloroanilino)cyclopropane-1-carboxylate
CID 103439462
3-(aminomethyl)-N-(3-bromo-4-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81467389
[1-(4-fluoroanilino)-3-methoxycyclohexyl]methanol
CID 106874202
methyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82717988
3-bromo-4-chloro-N-ethylaniline;hydrochloride
CID 68626677
3-bromo-4-chloro-N-(3-methoxycyclobutyl)benzamide
CID 104578392
[1-[(3-bromo-4-chlorophenyl)methylamino]cyclobutyl]methanol
CID 115909414
1-[(4-bromo-2-chlorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823811
ethyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82718153
N-(3-bromo-4-chlorophenyl)thian-4-amine
CID 75356399

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol?
The IUPAC name of [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol (CID 106824031) is [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol.
What is the SMILES notation for [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol?
The canonical SMILES for [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol is COC1CC(CO)(Nc2ccc(Cl)c(Br)c2)C1.
What is the InChIKey of [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol?
The InChIKey is OSCXHGUHAKURDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO2/c1-17-9-5-12(6-9,7-16)15-8-2-3-11(14)10(13)4-8/h2-4,9,15-16H,5-7H2,1H3.
What are the key properties of [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol?
[1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol has a molecular weight of 320.61 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-chloroanilino)-3-methoxycyclobutyl]methanol is sourced from PubChem (CID 106824031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).