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

C16H25BrFN — CID 63890254

IUPAC1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)CC(C)(C)C
InChIInChI=1S/C16H25BrFN/c1-5-8-19-14(11-16(2,3)4)10-12-9-13(17)6-7-15(12)18/h6-7,9,14,19H,5,8,10-11H2,1-4H3
InChIKeyZKVGZALFUFBYKR-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.94
Rot. Bonds6

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

1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 63890254) 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-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID63890254
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(Cc1cc(Br)ccc1F)CC(C)(C)C
InChIInChI=1S/C16H25BrFN/c1-5-8-19-14(11-16(2,3)4)10-12-9-13(17)6-7-15(12)18/h6-7,9,14,19H,5,8,10-11H2,1-4H3
InChIKeyZKVGZALFUFBYKR-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

3-(5-bromo-2-fluorophenyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 79093212
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
1-(5-bromo-2-fluorophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128761
1-(5-bromo-2-fluorophenyl)-4-propoxy-N-propylbutan-2-amine
CID 105131969
1-(3-bromo-2,6-difluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 106267363
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 55185963
N-[2-(5-bromo-2-fluorophenyl)-1-pyridin-4-ylethyl]propan-1-amine
CID 62601872
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63412592
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine (CID 63890254) is 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(Cc1cc(Br)ccc1F)CC(C)(C)C.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is ZKVGZALFUFBYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-5-8-19-14(11-16(2,3)4)10-12-9-13(17)6-7-15(12)18/h6-7,9,14,19H,5,8,10-11H2,1-4H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine?
1-(5-bromo-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-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-2-amine is sourced from PubChem (CID 63890254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).