(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium

C20H25BrNO2+ — CID 7454835

IUPAC(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
SMILESCOc1cc(C[NH2+]C2CCCC2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C20H24BrNO2/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3/p+1
InChIKeyBFKAICFFJPFIJW-UHFFFAOYSA-O
MW391.33 g/mol
LogP4.04
Rot. Bonds7

About (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium

(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium (PubChem CID 7454835) has the molecular formula C20H25BrNO2+ and a molecular weight of 391.33 g/mol. Its IUPAC name is (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium.

Molecular Properties

Compound Name(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
PubChem CID7454835
Molecular FormulaC20H25BrNO2+
Molecular Weight391.33 g/mol
Exact Mass390.11
IUPAC Name(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
SMILESCOc1cc(C[NH2+]C2CCCC2)c(Br)cc1OCc1ccccc1
InChIInChI=1S/C20H24BrNO2/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3/p+1
InChIKeyBFKAICFFJPFIJW-UHFFFAOYSA-O
XLogP4.04
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3369905
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 66532208
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 66533818
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
N-[[2-bromo-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 66534993
1-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)pentan-3-amine
CID 126483906
cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium
CID 8637975
1-bromo-4-methoxy-2-[(Z)-2-nitroethenyl]-5-phenylmethoxybenzene
CID 23888814
2-[2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538313
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium?
The IUPAC name of (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium (CID 7454835) is (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium.
What is the SMILES notation for (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium?
The canonical SMILES for (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium is COc1cc(C[NH2+]C2CCCC2)c(Br)cc1OCc1ccccc1.
What is the InChIKey of (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium?
The InChIKey is BFKAICFFJPFIJW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H24BrNO2/c1-23-19-11-16(13-22-17-9-5-6-10-17)18(21)12-20(19)24-14-15-7-3-2-4-8-15/h2-4,7-8,11-12,17,22H,5-6,9-10,13-14H2,1H3/p+1.
What are the key properties of (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium?
(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium has a molecular weight of 391.33 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium is sourced from PubChem (CID 7454835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).