N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine

C14H23BrN2 — CID 81080827

IUPACN'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
SMILESCCC(CN)CCN(C)Cc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-3-12(10-16)8-9-17(2)11-13-6-4-5-7-14(13)15/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyMNBGDXXSKFMLHR-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.26
Rot. Bonds7

About N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine

N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine (PubChem CID 81080827) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
PubChem CID81080827
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
SMILESCCC(CN)CCN(C)Cc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-3-12(10-16)8-9-17(2)11-13-6-4-5-7-14(13)15/h4-7,12H,3,8-11,16H2,1-2H3
InChIKeyMNBGDXXSKFMLHR-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
N'-[(4-bromothiophen-2-yl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81079439
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
4-[(2-bromophenyl)methyl-methylamino]-2-ethoxybutanoic acid
CID 55148053
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
2-N-[2-(2-bromophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040195

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine (CID 81080827) is N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine is CCC(CN)CCN(C)Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
The InChIKey is MNBGDXXSKFMLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-3-12(10-16)8-9-17(2)11-13-6-4-5-7-14(13)15/h4-7,12H,3,8-11,16H2,1-2H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine?
N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 81080827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).