1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine

C17H19BrFN — CID 63408200

IUPAC1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C17H19BrFN/c1-2-10-17(20,14-6-4-3-5-7-14)12-13-11-15(18)8-9-16(13)19/h3-9,11H,2,10,12,20H2,1H3
InChIKeyPIIZXVWWXNGJAA-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.78
Rot. Bonds5

About 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine

1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine (PubChem CID 63408200) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine
PubChem CID63408200
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine
SMILESCCCC(N)(Cc1cc(Br)ccc1F)c1ccccc1
InChIInChI=1S/C17H19BrFN/c1-2-10-17(20,14-6-4-3-5-7-14)12-13-11-15(18)8-9-16(13)19/h3-9,11H,2,10,12,20H2,1H3
InChIKeyPIIZXVWWXNGJAA-UHFFFAOYSA-N
XLogP4.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 103047860
1-(4-chloro-2-fluorophenyl)-2-phenylpentan-2-amine
CID 114853480
1-(5-bromo-2-fluorophenyl)-2-phenylpropan-2-amine
CID 55096060
1-(5-bromo-2-fluorophenyl)-2-methylpentan-2-amine
CID 65020142
1-(5-bromo-2-fluorophenyl)-2-(2-fluorophenyl)butan-2-amine
CID 115996357
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)propan-2-amine
CID 63408364
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
3-phenylhexan-3-amine
CID 60794511
2-[(5-bromo-2-fluorophenyl)methyl]-N,2-dimethylpentan-1-amine
CID 62723407
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-2-phenylpropanamide
CID 120591123
2-[(5-bromo-2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725310
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine (CID 63408200) is 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine is CCCC(N)(Cc1cc(Br)ccc1F)c1ccccc1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine?
The InChIKey is PIIZXVWWXNGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-2-10-17(20,14-6-4-3-5-7-14)12-13-11-15(18)8-9-16(13)19/h3-9,11H,2,10,12,20H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine?
1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine has a molecular weight of 336.25 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-phenylpentan-2-amine is sourced from PubChem (CID 63408200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).