1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine

C13H19BrN2O — CID 115117243

IUPAC1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCOc1ccc(Br)cc1N(C)C1CCCC1N
InChIInChI=1S/C13H19BrN2O/c1-16(11-5-3-4-10(11)15)12-8-9(14)6-7-13(12)17-2/h6-8,10-11H,3-5,15H2,1-2H3
InChIKeyAAWHUCBLHXIABI-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.77
Rot. Bonds3

About 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine

1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine (PubChem CID 115117243) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
PubChem CID115117243
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCOc1ccc(Br)cc1N(C)C1CCCC1N
InChIInChI=1S/C13H19BrN2O/c1-16(11-5-3-4-10(11)15)12-8-9(14)6-7-13(12)17-2/h6-8,10-11H,3-5,15H2,1-2H3
InChIKeyAAWHUCBLHXIABI-UHFFFAOYSA-N
XLogP2.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-methoxy-3-methylphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117860
2-N-(3-ethyl-4-methoxyphenyl)-2-N-methylcyclohexane-1,2-diamine
CID 115117888
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682796
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192223
2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639487
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclobutane-1-carboxamide
CID 115183487
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
N-(5-bromo-2-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193399
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
2-N-(4,6-dimethoxypyrimidin-2-yl)-2-N-methylcyclohexane-1,2-diamine
CID 102639464
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116607388
1-(aminomethyl)-N-(5-bromo-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182600

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine (CID 115117243) is 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine is COc1ccc(Br)cc1N(C)C1CCCC1N.
What is the InChIKey of 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is AAWHUCBLHXIABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(11-5-3-4-10(11)15)12-8-9(14)6-7-13(12)17-2/h6-8,10-11H,3-5,15H2,1-2H3.
What are the key properties of 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine?
1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 299.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-bromo-2-methoxyphenyl)-1-N-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 115117243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).