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

C12H19BrN2 — CID 61420148

IUPACN'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-14-8-5-9-15(2)10-11-6-3-4-7-12(11)13/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyVSGSCSKSUJSSLA-UHFFFAOYSA-N
MW271.20 g/mol
LogP2.49
Rot. Bonds6

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

N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine (PubChem CID 61420148) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
PubChem CID61420148
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC NameN'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
SMILESCNCCCN(C)Cc1ccccc1Br
InChIInChI=1S/C12H19BrN2/c1-14-8-5-9-15(2)10-11-6-3-4-7-12(11)13/h3-4,6-7,14H,5,8-10H2,1-2H3
InChIKeyVSGSCSKSUJSSLA-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 52.49
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

N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007
N'-[(2-bromophenyl)methyl]-N-butyl-N'-methylethane-1,2-diamine
CID 62556809
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62437312
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
5-[(2-bromophenyl)methyl-methylamino]pentan-2-one
CID 62035947
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
CID 13430
2-(2-bromophenyl)-N-methylethanamine
CID 11964124

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine (CID 61420148) is N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine is CNCCCN(C)Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine?
The InChIKey is VSGSCSKSUJSSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-14-8-5-9-15(2)10-11-6-3-4-7-12(11)13/h3-4,6-7,14H,5,8-10H2,1-2H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine?
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine has a molecular weight of 271.20 g/mol, XLogP of 2.49, 6 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,N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 61420148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).