N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine

C15H25BrN2 — CID 2053516

IUPACN'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-4-17(5-2)11-12-18(6-3)13-14-9-7-8-10-15(14)16/h7-10H,4-6,11-13H2,1-3H3
InChIKeyANSXVBZJJMRUEA-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.61
Rot. Bonds8

About N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine

N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine (PubChem CID 2053516) has the molecular formula C15H25BrN2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
PubChem CID2053516
Molecular FormulaC15H25BrN2
Molecular Weight313.28 g/mol
Exact Mass312.12
IUPAC NameN'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
SMILESCCN(CC)CCN(CC)Cc1ccccc1Br
InChIInChI=1S/C15H25BrN2/c1-4-17(5-2)11-12-18(6-3)13-14-9-7-8-10-15(14)16/h7-10H,4-6,11-13H2,1-3H3
InChIKeyANSXVBZJJMRUEA-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine (CID 2053516) is N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine is CCN(CC)CCN(CC)Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
The InChIKey is ANSXVBZJJMRUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2/c1-4-17(5-2)11-12-18(6-3)13-14-9-7-8-10-15(14)16/h7-10H,4-6,11-13H2,1-3H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine?
N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine has a molecular weight of 313.28 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine is sourced from PubChem (CID 2053516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).