N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

C13H21BrN2 — CID 115255045

IUPACN-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-3-11(8-15-2)9-16-10-12-6-4-5-7-13(12)14/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyUABVJMQBJPEOEL-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.78
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115255045) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115255045
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC NameN-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CNC)CNCc1ccccc1Br
InChIInChI=1S/C13H21BrN2/c1-3-11(8-15-2)9-16-10-12-6-4-5-7-13(12)14/h4-7,11,15-16H,3,8-10H2,1-2H3
InChIKeyUABVJMQBJPEOEL-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methylamino]butan-2-ol
CID 61401914
2-bromo-6-[(2-ethylbutylamino)methyl]phenol
CID 115616914
N-[(2-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65023948
N-[(5-bromo-2-methylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115255028
2-[[(2-bromophenyl)methylamino]methyl]butanenitrile
CID 115253867
1-N-[(2-bromophenyl)methyl]-3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
CID 43110730
2-ethyl-N-methyl-N'-[(2,4,5-trimethylphenyl)methyl]propane-1,3-diamine
CID 115255007
2-ethyl-N-[(4-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115254964
2-[(2-bromo-5-fluorophenyl)methyl]-N-methylbutan-1-amine
CID 62530745
2-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylbutane-1,2-diamine
CID 62435018
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-[(2-ethylbutylamino)methyl]benzonitrile
CID 115767858

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (CID 115255045) is N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is CCC(CNC)CNCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is UABVJMQBJPEOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-3-11(8-15-2)9-16-10-12-6-4-5-7-13(12)14/h4-7,11,15-16H,3,8-10H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 285.23 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115255045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).