2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine

C14H20BrF2N — CID 114166681

IUPAC2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H20BrF2N/c1-4-7-14(2,9-18-3)8-10-12(16)6-5-11(15)13(10)17/h5-6,18H,4,7-9H2,1-3H3
InChIKeyNBZKZLWPNDWCMK-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.30
Rot. Bonds6

About 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine

2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 114166681) has the molecular formula C14H20BrF2N and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID114166681
Molecular FormulaC14H20BrF2N
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C14H20BrF2N/c1-4-7-14(2,9-18-3)8-10-12(16)6-5-11(15)13(10)17/h5-6,18H,4,7-9H2,1-3H3
InChIKeyNBZKZLWPNDWCMK-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-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-[(3-bromo-2,6-difluorophenyl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 106271410
1-(3-bromo-2,6-difluorophenyl)-2-methylpentan-2-amine
CID 106273555
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-propylpropane-1,3-diol
CID 106273886
3-[(3-bromo-2,6-difluorophenyl)methyl]pentan-3-ol
CID 106265112
3-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 106271326
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
2-(aminomethyl)-3-(3-bromo-2,6-difluorophenyl)-2-methylpropan-1-ol
CID 106272229
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
4-(3-bromo-2,6-difluorophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 106273338
1-(3-bromo-2,6-difluorophenyl)-3-methoxy-2-methylpropan-2-ol
CID 106265143
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 106271309

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine (CID 114166681) is 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is NBZKZLWPNDWCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2N/c1-4-7-14(2,9-18-3)8-10-12(16)6-5-11(15)13(10)17/h5-6,18H,4,7-9H2,1-3H3.
What are the key properties of 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 320.22 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 114166681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).