[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol

C12H15BrClNO — CID 79124264

IUPAC[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
SMILESNCC1(C(O)c2cc(Cl)ccc2Br)CCC1
InChIInChI=1S/C12H15BrClNO/c13-10-3-2-8(14)6-9(10)11(16)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2
InChIKeyVQEXVBOUANLBQT-UHFFFAOYSA-N
MW304.61 g/mol
LogP3.26
Rot. Bonds3

About [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol

[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol (PubChem CID 79124264) has the molecular formula C12H15BrClNO and a molecular weight of 304.61 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
PubChem CID79124264
Molecular FormulaC12H15BrClNO
Molecular Weight304.61 g/mol
Exact Mass303.00
IUPAC Name[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
SMILESNCC1(C(O)c2cc(Cl)ccc2Br)CCC1
InChIInChI=1S/C12H15BrClNO/c13-10-3-2-8(14)6-9(10)11(16)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2
InChIKeyVQEXVBOUANLBQT-UHFFFAOYSA-N
XLogP3.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.61
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
CID 79135535
[1-(aminomethyl)cyclobutyl]-(3-bromo-4-chlorophenyl)methanol
CID 83241184
[1-(aminomethyl)cyclobutyl]-(3,5-dichlorophenyl)methanol
CID 79138573
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
[1-(aminomethyl)cyclobutyl]-(3,4-difluorophenyl)methanol
CID 79137860
[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79135689
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171262023
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262032
(1S)-1-(2-bromo-5-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171223288
[1-(aminomethyl)cyclopropyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 130513429
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol (CID 79124264) is [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol is NCC1(C(O)c2cc(Cl)ccc2Br)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol?
The InChIKey is VQEXVBOUANLBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClNO/c13-10-3-2-8(14)6-9(10)11(16)12(7-15)4-1-5-12/h2-3,6,11,16H,1,4-5,7,15H2.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol?
[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol has a molecular weight of 304.61 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol is sourced from PubChem (CID 79124264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).