[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine

C13H18BrNO — CID 117457397

IUPAC[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
SMILESCOCc1cccc(Br)c1C1(CN)CCC1
InChIInChI=1S/C13H18BrNO/c1-16-8-10-4-2-5-11(14)12(10)13(9-15)6-3-7-13/h2,4-5H,3,6-9,15H2,1H3
InChIKeyFUZFDZRCYVQUNL-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.98
Rot. Bonds4

About [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine

[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine (PubChem CID 117457397) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
PubChem CID117457397
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine
SMILESCOCc1cccc(Br)c1C1(CN)CCC1
InChIInChI=1S/C13H18BrNO/c1-16-8-10-4-2-5-11(14)12(10)13(9-15)6-3-7-13/h2,4-5H,3,6-9,15H2,1H3
InChIKeyFUZFDZRCYVQUNL-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-bromo-6-(methoxymethyl)phenyl]cyclopentan-1-amine
CID 117457434
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
[1-[2-fluoro-3-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117320226
[1-[2-bromo-6-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117492962
[1-[6-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]cyclobutyl]methanamine
CID 117412716
[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117343179
[1-(2,6-diethylphenyl)cyclohexyl]methanamine
CID 117366409
[1-(2-methoxynaphthalen-1-yl)cyclobutyl]methanamine
CID 117355668
2-amino-1-[2-bromo-6-(methoxymethyl)phenyl]ethanone
CID 117398321
[1-[(2-bromophenyl)methoxy]cyclopentyl]methanamine
CID 82831596
[1-[4-chloro-2-methoxy-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117479545
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424

Frequently Asked Questions

What is the IUPAC name of [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine (CID 117457397) is [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine is COCc1cccc(Br)c1C1(CN)CCC1.
What is the InChIKey of [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine?
The InChIKey is FUZFDZRCYVQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-8-10-4-2-5-11(14)12(10)13(9-15)6-3-7-13/h2,4-5H,3,6-9,15H2,1H3.
What are the key properties of [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine?
[1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bromo-6-(methoxymethyl)phenyl]cyclobutyl]methanamine is sourced from PubChem (CID 117457397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).