1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine

C10H15BrN2 — CID 116948009

IUPAC1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-12-7-10(13-2)8-5-3-4-6-9(8)11/h3-6,10,12-13H,7H2,1-2H3
InChIKeyPIWSSULCSVLQQQ-UHFFFAOYSA-N
MW243.15 g/mol
LogP1.93
Rot. Bonds4

About 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine

1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 116948009) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID116948009
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCC(NC)c1ccccc1Br
InChIInChI=1S/C10H15BrN2/c1-12-7-10(13-2)8-5-3-4-6-9(8)11/h3-6,10,12-13H,7H2,1-2H3
InChIKeyPIWSSULCSVLQQQ-UHFFFAOYSA-N
XLogP1.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950547
(2S)-2-(2-bromophenyl)-2-(methylamino)ethanol
CID 93471242
3-(2-bromophenyl)-3-(methylamino)propan-1-ol
CID 64815328
1-(2-bromophenyl)-1-N-methylbutane-1,3-diamine
CID 116948954
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
2-(2-bromophenyl)-2-methoxy-N-methylethanamine
CID 62106932
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
2-(2-bromophenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 62107661
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-(2-bromophenyl)-3-cyclohexyl-N-methylpropan-1-amine
CID 114192091
1-(2-bromophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63529102
1-(2-bromophenyl)-N-methyl-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 63493011

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine (CID 116948009) is 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine is CNCC(NC)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PIWSSULCSVLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-12-7-10(13-2)8-5-3-4-6-9(8)11/h3-6,10,12-13H,7H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine?
1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 116948009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).