4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one

C15H22BrN3O — CID 102888473

IUPAC4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one
SMILESCC(N)C(c1ccccc1Br)N1CCCN(C)C(=O)C1
InChIInChI=1S/C15H22BrN3O/c1-11(17)15(12-6-3-4-7-13(12)16)19-9-5-8-18(2)14(20)10-19/h3-4,6-7,11,15H,5,8-10,17H2,1-2H3
InChIKeyFHNBVGSLBMHOCG-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.00
Rot. Bonds3

About 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one

4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one (PubChem CID 102888473) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one
PubChem CID102888473
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one
SMILESCC(N)C(c1ccccc1Br)N1CCCN(C)C(=O)C1
InChIInChI=1S/C15H22BrN3O/c1-11(17)15(12-6-3-4-7-13(12)16)19-9-5-8-18(2)14(20)10-19/h3-4,6-7,11,15H,5,8-10,17H2,1-2H3
InChIKeyFHNBVGSLBMHOCG-UHFFFAOYSA-N
XLogP2.00
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-amino-1-(2-bromophenyl)propyl]-1,4-diazepan-1-yl]ethanol
CID 107214066
1-(8-azaspiro[4.5]decan-8-yl)-1-(2-bromophenyl)propan-2-amine
CID 63404089
1-(2-bromophenyl)-1-(4-ethylpiperazin-1-yl)propan-2-amine
CID 55022921
4-(2-bromophenyl)-1-methyl-1,4-diazepan-2-one
CID 117005401
1-(2-bromophenyl)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-amine
CID 79165611
1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 63605563
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)propanamide
CID 102848257
4-[2-amino-1-(4-methoxyphenyl)propyl]-1-methylpiperazin-2-one
CID 64681747
4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
CID 102888815
4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
CID 64680055
1-(2-bromophenyl)-1-fluoropropan-2-amine
CID 105490419
methyl 2-(2-bromophenyl)-2-pyrrolidin-1-ylacetate
CID 116860558

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one (CID 102888473) is 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one is CC(N)C(c1ccccc1Br)N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
The InChIKey is FHNBVGSLBMHOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-11(17)15(12-6-3-4-7-13(12)16)19-9-5-8-18(2)14(20)10-19/h3-4,6-7,11,15H,5,8-10,17H2,1-2H3.
What are the key properties of 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one?
4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one has a molecular weight of 340.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(2-bromophenyl)propyl]-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).