1-[(4-bromophenoxy)methyl]cyclobutan-1-amine

C11H14BrNO — CID 84708806

IUPAC1-[(4-bromophenoxy)methyl]cyclobutan-1-amine
SMILESNC1(COc2ccc(Br)cc2)CCC1
InChIInChI=1S/C11H14BrNO/c12-9-2-4-10(5-3-9)14-8-11(13)6-1-7-11/h2-5H,1,6-8,13H2
InChIKeyFPZVXMWRUSACCD-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.71
Rot. Bonds3

About 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine

1-[(4-bromophenoxy)methyl]cyclobutan-1-amine (PubChem CID 84708806) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[(4-bromophenoxy)methyl]cyclobutan-1-amine
PubChem CID84708806
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-[(4-bromophenoxy)methyl]cyclobutan-1-amine
SMILESNC1(COc2ccc(Br)cc2)CCC1
InChIInChI=1S/C11H14BrNO/c12-9-2-4-10(5-3-9)14-8-11(13)6-1-7-11/h2-5H,1,6-8,13H2
InChIKeyFPZVXMWRUSACCD-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715279
1-[(3-bromophenoxy)methyl]cyclohexan-1-amine
CID 84715280
1-[(2-bromophenoxy)methyl]cyclobutan-1-amine
CID 84708808
4-[(1-aminocycloheptyl)methoxy]-2-bromobenzonitrile
CID 107281557
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
1-[2-(4-bromophenyl)ethyl]cyclobutan-1-amine
CID 115074168
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
2-[4-[(1-aminocyclopropyl)methoxy]phenyl]acetic acid
CID 117094923
1-(2-phenoxyethoxymethyl)cyclohexan-1-amine
CID 64573978
5-[(1-aminocyclopropyl)methoxy]pyridin-2-amine
CID 134405917
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine?
The IUPAC name of 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine (CID 84708806) is 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine is NC1(COc2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine?
The InChIKey is FPZVXMWRUSACCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-9-2-4-10(5-3-9)14-8-11(13)6-1-7-11/h2-5H,1,6-8,13H2.
What are the key properties of 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine?
1-[(4-bromophenoxy)methyl]cyclobutan-1-amine has a molecular weight of 256.14 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenoxy)methyl]cyclobutan-1-amine is sourced from PubChem (CID 84708806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).