1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine

C16H25BrFN — CID 55185963

IUPAC1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cc(Br)ccc1F)C(C)(C)C
InChIInChI=1S/C16H25BrFN/c1-5-10-19-15(16(2,3)4)9-6-12-11-13(17)7-8-14(12)18/h7-8,11,15,19H,5-6,9-10H2,1-4H3
InChIKeyWCLNVLZORAOBCO-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.94
Rot. Bonds6

About 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine

1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine (PubChem CID 55185963) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
PubChem CID55185963
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
SMILESCCCNC(CCc1cc(Br)ccc1F)C(C)(C)C
InChIInChI=1S/C16H25BrFN/c1-5-10-19-15(16(2,3)4)9-6-12-11-13(17)7-8-14(12)18/h7-8,11,15,19H,5-6,9-10H2,1-4H3
InChIKeyWCLNVLZORAOBCO-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 63890254
1-(2-chloro-4-methylphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 106864903
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
1-(4-bromo-2-chlorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 113471252
N-[2-(5-bromo-2-fluorophenyl)ethyl]propan-2-amine
CID 62548311
1-(5-bromo-2-fluorophenyl)hexane-3,4-diol
CID 83933938
3-(5-bromo-2-fluorophenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79093212
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
1-(5-bromo-2-fluorophenyl)-N-propylbutan-1-amine
CID 79742839
6-(4-bromophenoxy)-2,2-dimethyl-N-propylhexan-3-amine
CID 63399776
5-(5-bromo-2-fluorophenyl)pentane-2,3-diol
CID 83933937
1-N-[2-(5-bromo-2-fluorophenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115136189

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine (CID 55185963) is 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine is CCCNC(CCc1cc(Br)ccc1F)C(C)(C)C.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine?
The InChIKey is WCLNVLZORAOBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-5-10-19-15(16(2,3)4)9-6-12-11-13(17)7-8-14(12)18/h7-8,11,15,19H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine?
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine has a molecular weight of 330.29 g/mol, XLogP of 4.94, 6 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)-4,4-dimethyl-N-propylpentan-3-amine is sourced from PubChem (CID 55185963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).