1-[(2-bromophenyl)methyl]diazinane

C11H15BrN2 — CID 130961372

IUPAC1-[(2-bromophenyl)methyl]diazinane
SMILESBrc1ccccc1CN1CCCCN1
InChIInChI=1S/C11H15BrN2/c12-11-6-2-1-5-10(11)9-14-8-4-3-7-13-14/h1-2,5-6,13H,3-4,7-9H2
InChIKeyMLUMYSPEUSZFAN-UHFFFAOYSA-N
MW255.16 g/mol
LogP2.55
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]diazinane

1-[(2-bromophenyl)methyl]diazinane (PubChem CID 130961372) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]diazinane.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]diazinane
PubChem CID130961372
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name1-[(2-bromophenyl)methyl]diazinane
SMILESBrc1ccccc1CN1CCCCN1
InChIInChI=1S/C11H15BrN2/c12-11-6-2-1-5-10(11)9-14-8-4-3-7-13-14/h1-2,5-6,13H,3-4,7-9H2
InChIKeyMLUMYSPEUSZFAN-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diazinan-1-ylmethyl)pyrimidine
CID 131003135
(3S)-1-[(2-bromophenyl)methyl]-3-methylpiperazine
CID 95243882
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
1-[(E)-3-(2-bromophenyl)prop-1-enyl]pyrrolidine
CID 101454658
N-[(2-bromophenyl)methyl]piperazine-1-carboxamide
CID 83559377
1-[(2-bromophenyl)methyl]-4-(2-chloroethyl)-1,4-diazepane
CID 55183487
1-[(2-bromophenyl)methyl]-1,3-diazinane-2,4-dione
CID 76907862
1-[(2-bromophenyl)methyl]-4-cyclopentylpiperazine
CID 7026530
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
1-[(2-bromophenyl)methyl]pyrrolidine-3,4-diol
CID 106672210
N-[(2-bromophenyl)methyl]-4-piperazin-1-ylaniline
CID 162657146

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]diazinane?
The IUPAC name of 1-[(2-bromophenyl)methyl]diazinane (CID 130961372) is 1-[(2-bromophenyl)methyl]diazinane.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]diazinane?
The canonical SMILES for 1-[(2-bromophenyl)methyl]diazinane is Brc1ccccc1CN1CCCCN1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]diazinane?
The InChIKey is MLUMYSPEUSZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-11-6-2-1-5-10(11)9-14-8-4-3-7-13-14/h1-2,5-6,13H,3-4,7-9H2.
What are the key properties of 1-[(2-bromophenyl)methyl]diazinane?
1-[(2-bromophenyl)methyl]diazinane has a molecular weight of 255.16 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]diazinane is sourced from PubChem (CID 130961372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).