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

C15H23BrN2 — CID 62437312

IUPACN'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC1CC1)Cc1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-18(11-5-4-10-17-14-8-9-14)12-13-6-2-3-7-15(13)16/h2-3,6-7,14,17H,4-5,8-12H2,1H3
InChIKeyIWKGTQPVZUPLGO-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.41
Rot. Bonds8

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

N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine (PubChem CID 62437312) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
PubChem CID62437312
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC1CC1)Cc1ccccc1Br
InChIInChI=1S/C15H23BrN2/c1-18(11-5-4-10-17-14-8-9-14)12-13-6-2-3-7-15(13)16/h2-3,6-7,14,17H,4-5,8-12H2,1H3
InChIKeyIWKGTQPVZUPLGO-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.41
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-(2-bromophenyl)ethyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115207157
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N-[3-(2-bromophenyl)propyl]cyclopropanamine
CID 62528627
1-bromo-2-[[[3-(cyclopropylamino)propyl-methylsulfamoyl]amino]methyl]benzene
CID 106051888
N'-[(2-bromophenyl)methyl]-N'-methylhexane-1,6-diamine
CID 61420007
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
N'-benzyl-N'-methyl-N-(4-methylcyclohexyl)propane-1,3-diamine
CID 29287205
N-cyclopropyl-N'-methyl-N'-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55002950
N-[2-[2-[[methyl(propyl)amino]methyl]phenyl]ethyl]cyclopropanamine
CID 115463581
N'-[(2-bromo-4-chlorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 107987676
N'-[(2-bromophenyl)methyl]-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62436074
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine (CID 62437312) is N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine is CN(CCCCNC1CC1)Cc1ccccc1Br.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine?
The InChIKey is IWKGTQPVZUPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-18(11-5-4-10-17-14-8-9-14)12-13-6-2-3-7-15(13)16/h2-3,6-7,14,17H,4-5,8-12H2,1H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine?
N'-[(2-bromophenyl)methyl]-N-cyclopropyl-N'-methylbutane-1,4-diamine has a molecular weight of 311.27 g/mol, XLogP of 3.41, 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-cyclopropyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62437312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).