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

C17H27BrFN — CID 63508741

IUPAC2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1ccc(Br)cc1F
InChIInChI=1S/C17H27BrFN/c1-5-8-17(4,12-20-11-13(2)3)10-14-6-7-15(18)9-16(14)19/h6-7,9,13,20H,5,8,10-12H2,1-4H3
InChIKeyNDMXYOYYOLFGCF-UHFFFAOYSA-N
MW344.31 g/mol
LogP5.18
Rot. Bonds8

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

2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (PubChem CID 63508741) has the molecular formula C17H27BrFN and a molecular weight of 344.31 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
PubChem CID63508741
Molecular FormulaC17H27BrFN
Molecular Weight344.31 g/mol
Exact Mass343.13
IUPAC Name2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
SMILESCCCC(C)(CNCC(C)C)Cc1ccc(Br)cc1F
InChIInChI=1S/C17H27BrFN/c1-5-8-17(4,12-20-11-13(2)3)10-14-6-7-15(18)9-16(14)19/h6-7,9,13,20H,5,8,10-12H2,1-4H3
InChIKeyNDMXYOYYOLFGCF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-bromo-4-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63509440
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 102641463
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 62723295
2-[(3,5-difluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 105408222
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
2-[(5-bromo-2-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63509370
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62726356
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
2-[(4-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 83149989
2-[(4-bromo-2-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63498493
2-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 63508313
1-(2,4-difluorophenyl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001676

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine (CID 63508741) is 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is CCCC(C)(CNCC(C)C)Cc1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is NDMXYOYYOLFGCF-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(18)9-16(14)19/h6-7,9,13,20H,5,8,10-12H2,1-4H3.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine?
2-[(4-bromo-2-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-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 63508741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).