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

C14H23BrN2O — CID 65323211

IUPACN'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H23BrN2O/c1-4-8-17(9-7-16-2)11-12-10-13(18-3)5-6-14(12)15/h5-6,10,16H,4,7-9,11H2,1-3H3
InChIKeyAAILEXSHGCFCGI-UHFFFAOYSA-N
MW315.25 g/mol
LogP2.89
Rot. Bonds8

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

N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 65323211) has the molecular formula C14H23BrN2O and a molecular weight of 315.25 g/mol. Its IUPAC name is N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
PubChem CID65323211
Molecular FormulaC14H23BrN2O
Molecular Weight315.25 g/mol
Exact Mass314.10
IUPAC NameN'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNC)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H23BrN2O/c1-4-8-17(9-7-16-2)11-12-10-13(18-3)5-6-14(12)15/h5-6,10,16H,4,7-9,11H2,1-3H3
InChIKeyAAILEXSHGCFCGI-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methyl-propylamino]ethanol
CID 65326713
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
N-[(2-hydroxyselanyl-5-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 102312113
N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
methyl 3-[(2-bromo-5-methoxyphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 115536450
[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949
2-bromo-N-[2-[ethyl(propyl)amino]ethyl]-5-methoxybenzamide
CID 103719286
N'-[(2-bromo-5-methoxyphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65323346
N-[(2-bromo-5-methoxyphenyl)methyl]-N-butylcyclopropanamine
CID 65327043
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine (CID 65323211) is N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine is CCCN(CCNC)Cc1cc(OC)ccc1Br.
What is the InChIKey of N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is AAILEXSHGCFCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O/c1-4-8-17(9-7-16-2)11-12-10-13(18-3)5-6-14(12)15/h5-6,10,16H,4,7-9,11H2,1-3H3.
What are the key properties of N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine?
N'-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 315.25 g/mol, XLogP of 2.89, 8 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-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 65323211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).