N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

C13H19BrFN — CID 64568536

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-9(2)10(3)7-16-8-11-4-5-12(15)6-13(11)14/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyTZEMSYDVZRHFGR-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.97
Rot. Bonds5

About N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine

N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (PubChem CID 64568536) has the molecular formula C13H19BrFN and a molecular weight of 288.20 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
PubChem CID64568536
Molecular FormulaC13H19BrFN
Molecular Weight288.20 g/mol
Exact Mass287.07
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
SMILESCC(C)C(C)CNCc1ccc(F)cc1Br
InChIInChI=1S/C13H19BrFN/c1-9(2)10(3)7-16-8-11-4-5-12(15)6-13(11)14/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyTZEMSYDVZRHFGR-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-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

N-[(4-fluoro-2-methylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570448
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103793048
N-[2-[(2-bromo-4-fluorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 103608711
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethoxypropan-1-amine
CID 113368914
2-[[(2-bromo-4-fluorophenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073113
N-[(2-bromo-4-fluorophenyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 115732113
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 28566155
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
N-[(4-bromo-3-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 81436285
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine (CID 64568536) is N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is CC(C)C(C)CNCc1ccc(F)cc1Br.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
The InChIKey is TZEMSYDVZRHFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN/c1-9(2)10(3)7-16-8-11-4-5-12(15)6-13(11)14/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine has a molecular weight of 288.20 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 64568536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).