(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium

C13H19BrNO+ — CID 4743348

IUPAC(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
SMILESCOc1ccc(C[NH2+]C2CCCC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-16-13-7-6-10(8-12(13)14)9-15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3/p+1
InChIKeyYKMDVJNTWQQGOH-UHFFFAOYSA-O
MW285.20 g/mol
LogP2.46
Rot. Bonds4

About (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium

(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium (PubChem CID 4743348) has the molecular formula C13H19BrNO+ and a molecular weight of 285.20 g/mol. Its IUPAC name is (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium.

Molecular Properties

Compound Name(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
PubChem CID4743348
Molecular FormulaC13H19BrNO+
Molecular Weight285.20 g/mol
Exact Mass284.06
IUPAC Name(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
SMILESCOc1ccc(C[NH2+]C2CCCC2)cc1Br
InChIInChI=1S/C13H18BrNO/c1-16-13-7-6-10(8-12(13)14)9-15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3/p+1
InChIKeyYKMDVJNTWQQGOH-UHFFFAOYSA-O
XLogP2.46
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4,5-dimethoxyphenyl)methyl-cyclooctylazanium
CID 8620910
cyclopentyl-[(4-methoxyphenyl)methyl]azanium
CID 4742547
1-bromo-3-[(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 64507177
cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium
CID 8637975
2-(3-bromo-4-methoxyphenyl)-1-cyclohexylethanone
CID 54971754
(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
CID 7454835
cyclopentyl-[(2,3,4-trimethoxyphenyl)methyl]azanium
CID 6941897
(3-bromo-4-methoxyphenyl)methyl-pentan-3-ylazanium
CID 4742597
2-(3-bromo-4-methoxyphenyl)-1-cyclobutylethanone
CID 64982207
2-bromo-4-[(3-bromocyclopentyl)methyl]-1-methoxybenzene
CID 64507816
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
3-(3-bromo-4-methoxyphenyl)-1-cyclopentylpropan-1-amine
CID 113390105

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium?
The IUPAC name of (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium (CID 4743348) is (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium.
What is the SMILES notation for (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium?
The canonical SMILES for (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium is COc1ccc(C[NH2+]C2CCCC2)cc1Br.
What is the InChIKey of (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium?
The InChIKey is YKMDVJNTWQQGOH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18BrNO/c1-16-13-7-6-10(8-12(13)14)9-15-11-4-2-3-5-11/h6-8,11,15H,2-5,9H2,1H3/p+1.
What are the key properties of (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium?
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium has a molecular weight of 285.20 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium is sourced from PubChem (CID 4743348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).