N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine

C10H15BrN2 — CID 28581237

IUPACN-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyNTMUDWQRSUZEMP-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.42
Rot. Bonds4

About N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine

N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 28581237) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID28581237
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1cccc(Br)c1
InChIInChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3
InChIKeyNTMUDWQRSUZEMP-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine (CID 28581237) is N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is NTMUDWQRSUZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13(2)7-6-12-10-5-3-4-9(11)8-10/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine?
N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 243.15 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 28581237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).