2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

C17H27BrFN — CID 63509440

IUPAC2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1ccc(F)cc1Br
InChIInChI=1S/C17H27BrFN/c1-5-8-17(4,12-20-11-13(2)3)10-14-6-7-15(19)9-16(14)18/h6-7,9,13,20H,5,8,10-12H2,1-4H3
InChIKeyLJWGFEULIFVCIX-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.18
Rot. Bonds8

About 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine

2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63509440) has the molecular formula C17H27BrFN and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID63509440
Molecular FormulaC17H27BrFN
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC Name2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1ccc(F)cc1Br
InChIInChI=1S/C17H27BrFN/c1-5-8-17(4,12-20-11-13(2)3)10-14-6-7-15(19)9-16(14)18/h6-7,9,13,20H,5,8,10-12H2,1-4H3
InChIKeyLJWGFEULIFVCIX-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.31
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63508741
2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 105408222
2-[(2-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151219
2-[(3-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718469
4-(2-bromo-5-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81035051
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264
2-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 62718470
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 64716995
N-tert-butyl-2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpentan-1-amine
CID 105374927
2-[(2,5-difluorophenyl)methyl]-2,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83151781
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 63509440) is 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is CCCC(C)(CNCC(C)C)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is LJWGFEULIFVCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrFN/c1-5-8-17(4,12-20-11-13(2)3)10-14-6-7-15(19)9-16(14)18/h6-7,9,13,20H,5,8,10-12H2,1-4H3.
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 344.31 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63509440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).