N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine

C15H23BrN2 — CID 102771722

IUPACN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1ccc(CNC)cc1Br
InChIInChI=1S/C15H23BrN2/c1-4-8-18(9-5-2)12-14-7-6-13(11-17-3)10-15(14)16/h4,6-7,10,17H,1,5,8-9,11-12H2,2-3H3
InChIKeyLLNMHNJOWCDJMU-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.57
Rot. Bonds8

About N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine (PubChem CID 102771722) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine
PubChem CID102771722
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine
SMILESC=CCN(CCC)Cc1ccc(CNC)cc1Br
InChIInChI=1S/C15H23BrN2/c1-4-8-18(9-5-2)12-14-7-6-13(11-17-3)10-15(14)16/h4,6-7,10,17H,1,5,8-9,11-12H2,2-3H3
InChIKeyLLNMHNJOWCDJMU-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340393
N'-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997500
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-ethylpropan-1-amine
CID 102769494
2-[[2-bromo-4-[(cyclopropylamino)methyl]phenyl]methyl-prop-2-enylamino]ethanol
CID 102771931
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340392
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
N-[(4-methylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 138519013
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
1-[3-bromo-4-(propoxymethyl)phenyl]-N-methylmethanamine
CID 102772617
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 102770674
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,4-dimethylaniline
CID 102770113
N-[(2,5-dimethylphenyl)methyl]-N-prop-2-enylpropan-1-amine
CID 135265211

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine?
The IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine (CID 102771722) is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine.
What is the SMILES notation for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine?
The canonical SMILES for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine is C=CCN(CCC)Cc1ccc(CNC)cc1Br.
What is the InChIKey of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine?
The InChIKey is LLNMHNJOWCDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-8-18(9-5-2)12-14-7-6-13(11-17-3)10-15(14)16/h4,6-7,10,17H,1,5,8-9,11-12H2,2-3H3.
What are the key properties of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine?
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine is sourced from PubChem (CID 102771722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).