1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine

C12H19BrN2 — CID 116950547

IUPAC1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-9(2)15-8-12(14-3)10-6-4-5-7-11(10)13/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyGMIZOSBPUVJXAZ-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.71
Rot. Bonds5

About 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine

1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116950547) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116950547
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-9(2)15-8-12(14-3)10-6-4-5-7-11(10)13/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyGMIZOSBPUVJXAZ-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
CID 116948009
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
1-(2-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 116948954
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
2-(2-bromophenyl)-5-methyl-N-propan-2-ylhexan-1-amine
CID 79449223
1-(5-bromo-2-methylphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950521
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
1-(2-bromophenyl)-N-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62630602
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (CID 116950547) is 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine is CNC(CNC(C)C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is GMIZOSBPUVJXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-9(2)15-8-12(14-3)10-6-4-5-7-11(10)13/h4-7,9,12,14-15H,8H2,1-3H3.
What are the key properties of 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116950547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).