N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine

C14H23BrN2 — CID 61420007

IUPACN'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
SMILESCN(CCCCCCN)Cc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-17(11-7-3-2-6-10-16)12-13-8-4-5-9-14(13)15/h4-5,8-9H,2-3,6-7,10-12,16H2,1H3
InChIKeyIAQNYLBDPYCFHI-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.40
Rot. Bonds8

About N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine

N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine (PubChem CID 61420007) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
PubChem CID61420007
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC NameN'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
SMILESCN(CCCCCCN)Cc1ccccc1Br
InChIInChI=1S/C14H23BrN2/c1-17(11-7-3-2-6-10-16)12-13-8-4-5-9-14(13)15/h4-5,8-9H,2-3,6-7,10-12,16H2,1H3
InChIKeyIAQNYLBDPYCFHI-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-bromophenyl)methyl-methylamino]pentyl acetate
CID 118630602
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
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N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
5-[(2-bromophenyl)methyl-methylamino]pentan-2-one
CID 62035947
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62437312
N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 61417092
N'-[(2-bromo-3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115319274
N'-[(2-bromophenyl)methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 81080827
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
2-[2-(aminomethyl)phenoxy]-N-[(2-bromophenyl)methyl]-N-methylethanamine
CID 61416325
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine (CID 61420007) is N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine is CN(CCCCCCN)Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine?
The InChIKey is IAQNYLBDPYCFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-17(11-7-3-2-6-10-16)12-13-8-4-5-9-14(13)15/h4-5,8-9H,2-3,6-7,10-12,16H2,1H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine?
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine has a molecular weight of 299.26 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine is sourced from PubChem (CID 61420007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).