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

C13H18BrNO2 — CID 79135689

IUPAC[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
SMILESCOc1ccc(Br)cc1C(O)C1(CN)CCC1
InChIInChI=1S/C13H18BrNO2/c1-17-11-4-3-9(14)7-10(11)12(16)13(8-15)5-2-6-13/h3-4,7,12,16H,2,5-6,8,15H2,1H3
InChIKeyKAPWXSLHSFWYNN-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.62
Rot. Bonds4

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

[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol (PubChem CID 79135689) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
PubChem CID79135689
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
SMILESCOc1ccc(Br)cc1C(O)C1(CN)CCC1
InChIInChI=1S/C13H18BrNO2/c1-17-11-4-3-9(14)7-10(11)12(16)13(8-15)5-2-6-13/h3-4,7,12,16H,2,5-6,8,15H2,1H3
InChIKeyKAPWXSLHSFWYNN-UHFFFAOYSA-N
XLogP2.62
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-ethylcyclohexyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79126020
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol
CID 79138330
[1-(aminomethyl)cyclopentyl]-(2,4-dimethoxyphenyl)methanol
CID 79135621
[1-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclobutyl]methanol
CID 116912673
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
CID 105460570
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286
[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
CID 79124264
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
1-(5-bromo-2-methoxyphenyl)-2-ethylbutan-1-amine
CID 43149088

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol (CID 79135689) is [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol is COc1ccc(Br)cc1C(O)C1(CN)CCC1.
What is the InChIKey of [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol?
The InChIKey is KAPWXSLHSFWYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-17-11-4-3-9(14)7-10(11)12(16)13(8-15)5-2-6-13/h3-4,7,12,16H,2,5-6,8,15H2,1H3.
What are the key properties of [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol?
[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol has a molecular weight of 300.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol is sourced from PubChem (CID 79135689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).