3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine

C15H23BrFN — CID 63401426

IUPAC3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1ccc(F)c(Br)c1)C(C)C
InChIInChI=1S/C15H23BrFN/c1-5-18-11(4)13(10(2)3)8-12-6-7-15(17)14(16)9-12/h6-7,9-11,13,18H,5,8H2,1-4H3
InChIKeyUZKFDVKUURBQRO-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.40
Rot. Bonds6

About 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine

3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine (PubChem CID 63401426) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
PubChem CID63401426
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(C)C(Cc1ccc(F)c(Br)c1)C(C)C
InChIInChI=1S/C15H23BrFN/c1-5-18-11(4)13(10(2)3)8-12-6-7-15(17)14(16)9-12/h6-7,9-11,13,18H,5,8H2,1-4H3
InChIKeyUZKFDVKUURBQRO-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-chlorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine
CID 55132814
1-(3-bromo-4-fluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721392
1-(3-bromo-4-fluorophenyl)-N-ethyl-4-methoxypentan-2-amine
CID 113391425
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115818713
3-(3-bromo-4-fluorophenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62528281
2-(3-bromo-4-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115818887
3-[(3,4-difluorophenyl)methyl]-N,4-dimethylpentan-2-amine
CID 82920845
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methyl-3-methylsulfonylbutan-2-amine
CID 115818488
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-(4-methylsulfanylphenyl)ethanamine
CID 115818820
1-(3-bromo-4-fluorophenyl)-3,4-dimethylpentan-2-amine
CID 115818971
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
1-(3-bromo-4-fluorophenyl)-2-N-ethyl-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063157

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine (CID 63401426) is 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine is CCNC(C)C(Cc1ccc(F)c(Br)c1)C(C)C.
What is the InChIKey of 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
The InChIKey is UZKFDVKUURBQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-5-18-11(4)13(10(2)3)8-12-6-7-15(17)14(16)9-12/h6-7,9-11,13,18H,5,8H2,1-4H3.
What are the key properties of 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine?
3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine has a molecular weight of 316.26 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-fluorophenyl)methyl]-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 63401426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).