1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine

C13H21BrN2 — CID 116950521

IUPAC1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1cc(Br)ccc1C
InChIInChI=1S/C13H21BrN2/c1-9(2)16-8-13(15-4)12-7-11(14)6-5-10(12)3/h5-7,9,13,15-16H,8H2,1-4H3
InChIKeyRCGOKTSYTMHXBS-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine

1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116950521) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116950521
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1cc(Br)ccc1C
InChIInChI=1S/C13H21BrN2/c1-9(2)16-8-13(15-4)12-7-11(14)6-5-10(12)3/h5-7,9,13,15-16H,8H2,1-4H3
InChIKeyRCGOKTSYTMHXBS-UHFFFAOYSA-N
XLogP3.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-N-methylheptan-1-amine
CID 115833849
1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950547
1-(5-bromo-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105412712
2-(5-bromo-2-methylphenyl)-N,3-dimethylbutan-1-amine
CID 116964369
1-(5-bromo-2-methylphenyl)-3-methyl-N-propylpentan-1-amine
CID 115846083
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107312321
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107892554
1-(5-bromo-2-methylphenyl)-N-ethylhex-5-yn-1-amine
CID 105033738
N-[2-(5-bromo-2-methylphenyl)ethyl]propan-2-amine
CID 82648119
1-(5-bromo-2-methylphenyl)-2-ethoxy-N-ethylethanamine
CID 105007898
1-(5-bromo-2-methylphenyl)butylhydrazine
CID 105282216

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (CID 116950521) is 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine is CNC(CNC(C)C)c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is RCGOKTSYTMHXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-9(2)16-8-13(15-4)12-7-11(14)6-5-10(12)3/h5-7,9,13,15-16H,8H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116950521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).