N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine

C9H12BrN — CID 155291918

IUPACN-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
SMILES[2H]C([2H])([2H])N(Cc1ccccc1Br)C([2H])([2H])[2H]
InChIInChI=1S/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3/i1D3,2D3
InChIKeyZPZPSZZVDFMNQS-WFGJKAKNSA-N
MW220.14 g/mol
LogP2.51
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine

N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine (PubChem CID 155291918) has the molecular formula C9H12BrN and a molecular weight of 220.14 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
PubChem CID155291918
Molecular FormulaC9H12BrN
Molecular Weight220.14 g/mol
Exact Mass219.05
IUPAC NameN-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine
SMILES[2H]C([2H])([2H])N(Cc1ccccc1Br)C([2H])([2H])[2H]
InChIInChI=1S/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3/i1D3,2D3
InChIKeyZPZPSZZVDFMNQS-WFGJKAKNSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.14
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
1,1-bis[(2-bromophenyl)methyl]hydrazine
CID 175527496
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
CID 90670860
tert-butyl N-[(2-bromophenyl)methyl]-N-(trideuteriomethyl)carbamate
CID 155291914
N-[(2-bromophenyl)methyl]-N-methylazetidin-3-amine
CID 62784251
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
1-bromo-2-[[methyl(sulfamoyl)amino]methyl]benzene
CID 60728273
1-(4-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylmethanamine
CID 60646410
[(2-bromophenyl)methyl-methylamino]methyl-trifluoroboranuide
CID 63701500

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine (CID 155291918) is N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine is [2H]C([2H])([2H])N(Cc1ccccc1Br)C([2H])([2H])[2H].
What is the InChIKey of N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
The InChIKey is ZPZPSZZVDFMNQS-WFGJKAKNSA-N. The full InChI is InChI=1S/C9H12BrN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3/i1D3,2D3.
What are the key properties of N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine?
N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine has a molecular weight of 220.14 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1,1,1-trideuterio-N-(trideuteriomethyl)methanamine is sourced from PubChem (CID 155291918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).