N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine

C11H17BrN2 — CID 62559074

IUPACN-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-3-14(2)8-7-13-11-6-4-5-10(12)9-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyFJKMALBEXFDATA-UHFFFAOYSA-N
MW257.17 g/mol
LogP2.81
Rot. Bonds5

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

N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 62559074) has the molecular formula C11H17BrN2 and a molecular weight of 257.17 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID62559074
Molecular FormulaC11H17BrN2
Molecular Weight257.17 g/mol
Exact Mass256.06
IUPAC NameN-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNc1cccc(Br)c1
InChIInChI=1S/C11H17BrN2/c1-3-14(2)8-7-13-11-6-4-5-10(12)9-11/h4-6,9,13H,3,7-8H2,1-2H3
InChIKeyFJKMALBEXFDATA-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-N'-[(4-bromothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 55196446
N-(3-bromophenyl)-N'-methyl-N'-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112666233
N-(3-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62558207
N-(3-bromophenyl)-N'-[(5-bromothiophen-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 55197214
N-(3-bromophenyl)-N'-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504087
N-(3-bromophenyl)-N'-ethyl-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 63502362
3-bromo-N-octylaniline
CID 43129310
N-(3-bromophenyl)-N'-methyl-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 63504280
1-bromo-3-[2-(dimethylsulfamoylamino)ethylamino]benzene
CID 75448728
(2S)-1-(3-bromoanilino)butan-2-ol
CID 93345591
N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 62560569
N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 62559074) is N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is FJKMALBEXFDATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2/c1-3-14(2)8-7-13-11-6-4-5-10(12)9-11/h4-6,9,13H,3,7-8H2,1-2H3.
What are the key properties of N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 257.17 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62559074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).