5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine

C16H25BrFN — CID 79712186

IUPAC5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H25BrFN/c1-5-6-19-12(2)10-16(3,4)11-13-7-14(17)9-15(18)8-13/h7-9,12,19H,5-6,10-11H2,1-4H3
InChIKeySAYGEANNNKIDJI-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.94
Rot. Bonds7

About 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine

5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 79712186) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID79712186
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C16H25BrFN/c1-5-6-19-12(2)10-16(3,4)11-13-7-14(17)9-15(18)8-13/h7-9,12,19H,5-6,10-11H2,1-4H3
InChIKeySAYGEANNNKIDJI-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-bromophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64716821
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028595
1-(3-bromo-5-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 79709200
2-[(3-bromo-5-fluorophenyl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83160212
5-(2-chloro-4-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 64717449
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647
2-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 79709505
1-(3-bromo-5-fluorophenyl)-2,3-dimethylbutan-2-amine
CID 79702565
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
1-(3-bromo-5-fluorophenyl)-2-methylpentan-2-amine
CID 79711391
4-[(3-bromo-5-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865491
1-(3-bromo-5-fluorophenyl)-2-methylbutan-2-amine
CID 79702455

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (CID 79712186) is 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(C)CC(C)(C)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is SAYGEANNNKIDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-5-6-19-12(2)10-16(3,4)11-13-7-14(17)9-15(18)8-13/h7-9,12,19H,5-6,10-11H2,1-4H3.
What are the key properties of 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 330.29 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 79712186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).