1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane

C14H20Br2N2 — CID 64944805

IUPAC1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(c2ccc(Br)cc2Br)CCCN1
InChIInChI=1S/C14H20Br2N2/c1-10(2)13-9-18(7-3-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyWFPYNVJAPSIAOF-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.04
Rot. Bonds2

About 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane

1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane (PubChem CID 64944805) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane
PubChem CID64944805
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(c2ccc(Br)cc2Br)CCCN1
InChIInChI=1S/C14H20Br2N2/c1-10(2)13-9-18(7-3-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3
InChIKeyWFPYNVJAPSIAOF-UHFFFAOYSA-N
XLogP4.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-1-(2,4-dibromophenyl)piperazine
CID 64924362
1-(4-fluoro-2-iodophenyl)-3-propan-2-yl-1,4-diazepane
CID 79771327
1-(5-bromo-2-methoxyphenyl)-3-butan-2-yl-1,4-diazepane
CID 64945226
1-(4-methylphenyl)-3-propan-2-yl-1,4-diazepane
CID 64943324
1-(3,5-dimethoxyphenyl)-3-propan-2-yl-1,4-diazepane
CID 64941914
1-[(4-bromophenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64857060
1-(3-iodophenyl)-3-propan-2-yl-1,4-diazepane
CID 64944968
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
CID 64924314
3-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64943487
1-(2-chloro-4-fluorophenyl)-3-propan-2-ylpiperazine
CID 64924670
5-(3-propan-2-yl-1,4-diazepan-1-yl)isoquinoline
CID 64942773
1-(4-bromo-3-chlorophenyl)-3-butan-2-yl-1,4-diazepane
CID 107617323

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane (CID 64944805) is 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(c2ccc(Br)cc2Br)CCCN1.
What is the InChIKey of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
The InChIKey is WFPYNVJAPSIAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-10(2)13-9-18(7-3-6-17-13)14-5-4-11(15)8-12(14)16/h4-5,8,10,13,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane?
1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane has a molecular weight of 376.14 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 64944805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).