3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine

C17H19BrN2O — CID 62992022

IUPAC3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(CNC2CC(c3cccc(Br)c3)C2)ccn1
InChIInChI=1S/C17H19BrN2O/c1-21-17-7-12(5-6-19-17)11-20-16-9-14(10-16)13-3-2-4-15(18)8-13/h2-8,14,16,20H,9-11H2,1H3
InChIKeyXDWXBFBPUMOJSI-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.89
Rot. Bonds5

About 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine

3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 62992022) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID62992022
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
SMILESCOc1cc(CNC2CC(c3cccc(Br)c3)C2)ccn1
InChIInChI=1S/C17H19BrN2O/c1-21-17-7-12(5-6-19-17)11-20-16-9-14(10-16)13-3-2-4-15(18)8-13/h2-8,14,16,20H,9-11H2,1H3
InChIKeyXDWXBFBPUMOJSI-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 104871414
3-(2-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62991827
2-(3-bromophenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62989177
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573
N-[(2-methoxy-4-pyridinyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 81297222
N-[(3-bromophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 61401388
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 81298226
3-[(2-methoxy-4-pyridinyl)methylamino]-1-methylpyrrolidine-2,5-dione
CID 62991848
N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 114676730
3-(3-bromophenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632521
3-(3-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]cyclobutan-1-amine
CID 63452022

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine (CID 62992022) is 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine is COc1cc(CNC2CC(c3cccc(Br)c3)C2)ccn1.
What is the InChIKey of 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is XDWXBFBPUMOJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-21-17-7-12(5-6-19-17)11-20-16-9-14(10-16)13-3-2-4-15(18)8-13/h2-8,14,16,20H,9-11H2,1H3.
What are the key properties of 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine?
3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 347.26 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 62992022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).