6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine

C15H23BrFN — CID 79709529

IUPAC6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
SMILESCCNC(CCCc1cc(F)cc(Br)c1)C(C)C
InChIInChI=1S/C15H23BrFN/c1-4-18-15(11(2)3)7-5-6-12-8-13(16)10-14(17)9-12/h8-11,15,18H,4-7H2,1-3H3
InChIKeyBFPFBJIRUSZGKJ-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.55
Rot. Bonds7

About 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine

6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine (PubChem CID 79709529) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine.

Molecular Properties

Compound Name6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
PubChem CID79709529
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine
SMILESCCNC(CCCc1cc(F)cc(Br)c1)C(C)C
InChIInChI=1S/C15H23BrFN/c1-4-18-15(11(2)3)7-5-6-12-8-13(16)10-14(17)9-12/h8-11,15,18H,4-7H2,1-3H3
InChIKeyBFPFBJIRUSZGKJ-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(3-bromo-5-fluorophenyl)-N-methylhexan-3-amine
CID 79709363
4-(3-bromo-5-fluorophenyl)-N-propan-2-ylbutan-1-amine
CID 79709686
6-(3-bromo-5-fluorophenyl)-2,2-dimethylhexan-3-amine
CID 79709444
1-(3-bromo-5-fluorophenyl)-N,3-diethylheptan-2-amine
CID 105015533
1-(3-bromo-5-fluorophenyl)-4-methylpentan-3-amine
CID 79701954
N-[3-(3-bromo-5-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 79709252
1-(3-bromo-5-fluorophenyl)-N-ethyl-3-propan-2-ylsulfanylpropan-2-amine
CID 79709055
1-(3,5-difluorophenyl)-N-ethylheptan-4-amine
CID 105409696
4-(3-bromo-5-fluorophenyl)-N-propylbutan-1-amine
CID 79709608
1-bromo-3-(3-bromohexyl)-5-fluorobenzene
CID 79709491
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
1-(3-bromo-5-fluorophenyl)-N,2-dimethylpentan-3-amine
CID 79702857

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine?
The IUPAC name of 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine (CID 79709529) is 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine.
What is the SMILES notation for 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine?
The canonical SMILES for 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine is CCNC(CCCc1cc(F)cc(Br)c1)C(C)C.
What is the InChIKey of 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine?
The InChIKey is BFPFBJIRUSZGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-4-18-15(11(2)3)7-5-6-12-8-13(16)10-14(17)9-12/h8-11,15,18H,4-7H2,1-3H3.
What are the key properties of 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine?
6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine has a molecular weight of 316.26 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromo-5-fluorophenyl)-N-ethyl-2-methylhexan-3-amine is sourced from PubChem (CID 79709529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).