N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C14H23BrN2O — CID 65323346

IUPACN'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)c(CN(CCN)CC(C)C)c1
InChIInChI=1S/C14H23BrN2O/c1-11(2)9-17(7-6-16)10-12-8-13(18-3)4-5-14(12)15/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyMUYIWAODTPIKLE-UHFFFAOYSA-N
MW315.26 g/mol
LogP2.87
Rot. Bonds7

About N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 65323346) has the molecular formula C14H23BrN2O and a molecular weight of 315.26 g/mol. Its IUPAC name is N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID65323346
Molecular FormulaC14H23BrN2O
Molecular Weight315.26 g/mol
Exact Mass314.10
IUPAC NameN'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCOc1ccc(Br)c(CN(CCN)CC(C)C)c1
InChIInChI=1S/C14H23BrN2O/c1-11(2)9-17(7-6-16)10-12-8-13(18-3)4-5-14(12)15/h4-5,8,11H,6-7,9-10,16H2,1-3H3
InChIKeyMUYIWAODTPIKLE-UHFFFAOYSA-N
XLogP2.87
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[bis(2-methylpropyl)amino]methyl]-5-methoxyaniline
CID 115413853
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-methoxyethyl)butan-2-amine
CID 65325866
N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
CID 65323211
N'-(2-aminoethyl)-N'-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 62922412
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 102876148
N'-benzyl-N'-[(2,4-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 39423483

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 65323346) is N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is COc1ccc(Br)c(CN(CCN)CC(C)C)c1.
What is the InChIKey of N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is MUYIWAODTPIKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-11(2)9-17(7-6-16)10-12-8-13(18-3)4-5-14(12)15/h4-5,8,11H,6-7,9-10,16H2,1-3H3.
What are the key properties of N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 315.26 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 65323346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).