N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine

C11H12BrN — CID 13430

IUPACN-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccccc1Br
InChIInChI=1S/C11H12BrN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h1,4-7H,8-9H2,2H3
InChIKeyRAQPZRZYBLVXPM-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.51
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine

N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine (PubChem CID 13430) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
PubChem CID13430
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1ccccc1Br
InChIInChI=1S/C11H12BrN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h1,4-7H,8-9H2,2H3
InChIKeyRAQPZRZYBLVXPM-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
1-[2-[[(2-bromophenyl)methyl-methylamino]methyl]phenyl]-N-methylmethanamine
CID 62437137
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
[(2-bromophenyl)methyl-methylamino]methyl-trifluoroboranuide
CID 63701500
N'-[(2-bromophenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 61420148
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 55027528
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
N-[(2-bromophenyl)methyl]-2-ethoxy-N-methylethanamine
CID 78914332
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine (CID 13430) is N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is RAQPZRZYBLVXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h1,4-7H,8-9H2,2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine?
N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 238.13 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 13430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).