1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine

C15H24BrFN2 — CID 79053023

IUPAC1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCCNC(Cc1ccc(Br)cc1F)C(C)(C)N(C)C
InChIInChI=1S/C15H24BrFN2/c1-6-18-14(15(2,3)19(4)5)9-11-7-8-12(16)10-13(11)17/h7-8,10,14,18H,6,9H2,1-5H3
InChIKeyQNTLNKROKNIWJD-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.45
Rot. Bonds6

About 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine

1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine (PubChem CID 79053023) has the molecular formula C15H24BrFN2 and a molecular weight of 331.27 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
PubChem CID79053023
Molecular FormulaC15H24BrFN2
Molecular Weight331.27 g/mol
Exact Mass330.11
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
SMILESCCNC(Cc1ccc(Br)cc1F)C(C)(C)N(C)C
InChIInChI=1S/C15H24BrFN2/c1-6-18-14(15(2,3)19(4)5)9-11-7-8-12(16)10-13(11)17/h7-8,10,14,18H,6,9H2,1-5H3
InChIKeyQNTLNKROKNIWJD-UHFFFAOYSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(4-bromo-2-fluorophenyl)-3-ethoxy-N-ethyl-3-methylpentan-2-amine
CID 116759011
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051277
1-(4-bromo-2-fluorophenyl)-N,3,3-trimethylbutan-2-amine
CID 62600037
1-(2,6-difluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 114932249
2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053308
1-(2-bromo-5-fluorophenyl)-2-N,3-diethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 79058846
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075
3-(4-bromo-2-fluorophenyl)-1,1-diethoxy-N-ethylpropan-2-amine
CID 79495115
1-(2-bromo-5-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063287
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
1-(4-bromo-2-fluorophenyl)-N-ethyl-4-methylsulfanylbutan-2-amine
CID 105137196
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine (CID 79053023) is 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine is CCNC(Cc1ccc(Br)cc1F)C(C)(C)N(C)C.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
The InChIKey is QNTLNKROKNIWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrFN2/c1-6-18-14(15(2,3)19(4)5)9-11-7-8-12(16)10-13(11)17/h7-8,10,14,18H,6,9H2,1-5H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine?
1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine has a molecular weight of 331.27 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylbutane-2,3-diamine is sourced from PubChem (CID 79053023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).