2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine

C14H21BrFN — CID 62723407

IUPAC2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN/c1-4-7-14(2,10-17-3)9-11-8-12(15)5-6-13(11)16/h5-6,8,17H,4,7,9-10H2,1-3H3
InChIKeyVCRBEWYXJKUMBG-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.16
Rot. Bonds6

About 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine

2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 62723407) has the molecular formula C14H21BrFN and a molecular weight of 302.23 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID62723407
Molecular FormulaC14H21BrFN
Molecular Weight302.23 g/mol
Exact Mass301.08
IUPAC Name2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)(CNC)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFN/c1-4-7-14(2,10-17-3)9-11-8-12(15)5-6-13(11)16/h5-6,8,17H,4,7,9-10H2,1-3H3
InChIKeyVCRBEWYXJKUMBG-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62726256
4-bromo-2-[3-bromo-2-(bromomethyl)-2-methylpropyl]-1-fluorobenzene
CID 79453032
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
2-[(3-bromo-2,6-difluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 114166681
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
2-[(4-bromo-2-fluorophenyl)methyl]-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 63508741
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 62723295
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
2-[(5-bromo-2-fluorophenyl)methyl]-N-tert-butyl-2-ethylbutan-1-amine
CID 63507943
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
2-[(3-bromo-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 62723478
1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine
CID 63408200

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine (CID 62723407) is 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)(CNC)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is VCRBEWYXJKUMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFN/c1-4-7-14(2,10-17-3)9-11-8-12(15)5-6-13(11)16/h5-6,8,17H,4,7,9-10H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine?
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 302.23 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 62723407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).