N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine

C13H21BrN2 — CID 62560557

IUPACN-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C)CCNc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-11(2)10-16(3)9-8-15-13-7-5-4-6-12(13)14/h4-7,11,15H,8-10H2,1-3H3
InChIKeyDBQRXCHWCNDRCY-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.45
Rot. Bonds6

About N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine

N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62560557) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62560557
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(C)CCNc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-11(2)10-16(3)9-8-15-13-7-5-4-6-12(13)14/h4-7,11,15H,8-10H2,1-3H3
InChIKeyDBQRXCHWCNDRCY-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
CID 62561481
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CID 62575788
N-(2-bromophenyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 63503457
N-(2-bromophenyl)-N'-[(2-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62555090
N-(2-bromophenyl)-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 55089307
2-bromo-N-[2-(3-methylbutylsulfonyl)ethyl]aniline
CID 107757762
1-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 55098747
N-(2-chlorophenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63504287
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
2-bromo-N-(3-fluoropropyl)aniline
CID 81105386
2-bromo-N-methyl-N-(2-methylpropyl)aniline
CID 11149184
N-(2-bromophenyl)-N'-methyl-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62561241

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62560557) is N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(C)CCNc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is DBQRXCHWCNDRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-11(2)10-16(3)9-8-15-13-7-5-4-6-12(13)14/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 285.23 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62560557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).