2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine

C13H18BrNO — CID 103274368

IUPAC2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
SMILESNCCC1(OCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)10-16-13(8-9-15)6-1-7-13/h2-5H,1,6-10,15H2
InChIKeyWLDADZPTALULRZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.24
Rot. Bonds5

About 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine

2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine (PubChem CID 103274368) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
PubChem CID103274368
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
SMILESNCCC1(OCc2ccc(Br)cc2)CCC1
InChIInChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)10-16-13(8-9-15)6-1-7-13/h2-5H,1,6-10,15H2
InChIKeyWLDADZPTALULRZ-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromophenyl)methoxy]cycloheptyl]methanamine
CID 82832273
2-(1-phenylmethoxycycloheptyl)ethanamine
CID 115046142
N-[2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103274369
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 82831812
1-[1-[(4-bromophenyl)methoxy]cycloheptyl]-N-methylmethanamine
CID 82831281
methyl 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]acetate
CID 103272838
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 82832195
N-[[1-[(4-bromophenyl)methoxy]cycloheptyl]methyl]propan-1-amine
CID 82805528
[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
CID 82832044
2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine
CID 103273829
(1-phenylmethoxycyclopentyl)methanamine
CID 62107893
1-(bromomethyl)-1-[(4-chlorophenyl)methoxy]cycloheptane
CID 65124429

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine?
The IUPAC name of 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine (CID 103274368) is 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine is NCCC1(OCc2ccc(Br)cc2)CCC1.
What is the InChIKey of 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine?
The InChIKey is WLDADZPTALULRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c14-12-4-2-11(3-5-12)10-16-13(8-9-15)6-1-7-13/h2-5H,1,6-10,15H2.
What are the key properties of 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine?
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine has a molecular weight of 284.20 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine is sourced from PubChem (CID 103274368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).