4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine

C15H24BrFN2 — CID 79709304

IUPAC4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
SMILESCCN(CC)CCC(Cc1cc(F)cc(Br)c1)NC
InChIInChI=1S/C15H24BrFN2/c1-4-19(5-2)7-6-15(18-3)10-12-8-13(16)11-14(17)9-12/h8-9,11,15,18H,4-7,10H2,1-3H3
InChIKeyFVGXAMFAUGXPGT-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.45
Rot. Bonds8

About 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine

4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine (PubChem CID 79709304) has the molecular formula C15H24BrFN2 and a molecular weight of 331.27 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
PubChem CID79709304
Molecular FormulaC15H24BrFN2
Molecular Weight331.27 g/mol
Exact Mass330.11
IUPAC Name4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine
SMILESCCN(CC)CCC(Cc1cc(F)cc(Br)c1)NC
InChIInChI=1S/C15H24BrFN2/c1-4-19(5-2)7-6-15(18-3)10-12-8-13(16)11-14(17)9-12/h8-9,11,15,18H,4-7,10H2,1-3H3
InChIKeyFVGXAMFAUGXPGT-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-4-(3-fluorophenyl)-3-N-methylbutane-1,3-diamine
CID 79087242
1-(3-bromo-5-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105169473
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565
1-(3-bromo-5-fluorophenyl)-4-cyclopentyl-N-methylbutan-2-amine
CID 105015590
1-(3-bromo-5-fluorophenyl)-3-butan-2-ylsulfanyl-N-methylpropan-2-amine
CID 79709704
1-(3-bromo-5-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103028593
6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
CID 79709363
1-(3-bromo-5-fluorophenyl)-3-N,3-N-diethyl-2-N,3-dimethylbutane-2,3-diamine
CID 79709303
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857
1-N,1-N-diethyl-3-N-methyl-4-(3-methylphenyl)butane-1,3-diamine
CID 79087525
1-(3-bromo-5-fluorophenyl)-3-(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 79699824
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 105015619

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine?
The IUPAC name of 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine (CID 79709304) is 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine is CCN(CC)CCC(Cc1cc(F)cc(Br)c1)NC.
What is the InChIKey of 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine?
The InChIKey is FVGXAMFAUGXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFN2/c1-4-19(5-2)7-6-15(18-3)10-12-8-13(16)11-14(17)9-12/h8-9,11,15,18H,4-7,10H2,1-3H3.
What are the key properties of 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine?
4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine has a molecular weight of 331.27 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenyl)-1-N,1-N-diethyl-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 79709304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).