[4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine

C15H24BrN3 — CID 84607333

IUPAC[4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine
SMILESCc1ccc(N2CC(CN)N(C)CCC2C)cc1Br
InChIInChI=1S/C15H24BrN3/c1-11-4-5-13(8-15(11)16)19-10-14(9-17)18(3)7-6-12(19)2/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3
InChIKeyQUNWAHMTLDIMPZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.62
Rot. Bonds2

About [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine

[4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine (PubChem CID 84607333) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine.

Molecular Properties

Compound Name[4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine
PubChem CID84607333
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name[4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine
SMILESCc1ccc(N2CC(CN)N(C)CCC2C)cc1Br
InChIInChI=1S/C15H24BrN3/c1-11-4-5-13(8-15(11)16)19-10-14(9-17)18(3)7-6-12(19)2/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3
InChIKeyQUNWAHMTLDIMPZ-UHFFFAOYSA-N
XLogP2.62
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-bromo-4-methylphenyl)-4,7-dimethyl-1,4-diazepan-2-yl]methanamine
CID 84607346
2-[4-(4-bromophenyl)-1,5-dimethyl-1,4-diazepan-2-yl]ethanol
CID 84608271
[1-(2-bromo-4-methylphenyl)-4,5-dimethyl-1,4-diazepan-2-yl]methanamine
CID 84607411
1-(3-bromo-4-methylphenyl)-2-methyl-1,4-diazepane
CID 82307433
1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
CID 64940047
1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine
CID 64940433
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
2-[1-(4-bromo-3-methylphenyl)-4,5-dimethylpiperazin-2-yl]ethanol
CID 84608251
1-(3-bromo-4-methylphenyl)-N-methylpiperidin-4-amine
CID 63334285
2-[1-(3-bromo-4-methylphenyl)-4,5-dimethyl-3-oxopiperazin-2-yl]acetonitrile
CID 84610682
1-(3-bromo-4-methylphenyl)-3-(hydroxymethyl)-4,6-dimethylpiperazin-2-one
CID 84607852
2-methyl-4-(2-methylpiperidin-1-yl)aniline
CID 43384883

Frequently Asked Questions

What is the IUPAC name of [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine?
The IUPAC name of [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine (CID 84607333) is [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine.
What is the SMILES notation for [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine?
The canonical SMILES for [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine is Cc1ccc(N2CC(CN)N(C)CCC2C)cc1Br.
What is the InChIKey of [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine?
The InChIKey is QUNWAHMTLDIMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11-4-5-13(8-15(11)16)19-10-14(9-17)18(3)7-6-12(19)2/h4-5,8,12,14H,6-7,9-10,17H2,1-3H3.
What are the key properties of [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine?
[4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine has a molecular weight of 326.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-bromo-4-methylphenyl)-1,5-dimethyl-1,4-diazepan-2-yl]methanamine is sourced from PubChem (CID 84607333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).