1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine

C17H25BrFN — CID 79747612

IUPAC1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H25BrFN/c1-2-11-20-17(10-7-13-5-3-4-6-13)14-8-9-16(19)15(18)12-14/h8-9,12-13,17,20H,2-7,10-11H2,1H3
InChIKeyXVCNLYXQCYFZFH-UHFFFAOYSA-N
MW342.30 g/mol
LogP5.60
Rot. Bonds7

About 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine

1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine (PubChem CID 79747612) has the molecular formula C17H25BrFN and a molecular weight of 342.30 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
PubChem CID79747612
Molecular FormulaC17H25BrFN
Molecular Weight342.30 g/mol
Exact Mass341.12
IUPAC Name1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNC(CCC1CCCC1)c1ccc(F)c(Br)c1
InChIInChI=1S/C17H25BrFN/c1-2-11-20-17(10-7-13-5-3-4-6-13)14-8-9-16(19)15(18)12-14/h8-9,12-13,17,20H,2-7,10-11H2,1H3
InChIKeyXVCNLYXQCYFZFH-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.30
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
3-cyclopentyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43494684
1-(4-bromo-3-chlorophenyl)-3-cyclopropyl-N-propylpropan-1-amine
CID 104995282
3-cycloheptyl-1-phenyl-N-propylpropan-1-amine
CID 82924096
N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
CID 115847441
1-(3-bromo-4-fluorophenyl)-N-propylhex-5-en-1-amine
CID 82801652
N-[1-(3-bromo-4-fluorophenyl)-2-phenylethyl]propan-1-amine
CID 79747525
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
1-(4-chlorophenyl)-N-(2-cyclopentylethyl)butan-1-amine
CID 63450134
1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine (CID 79747612) is 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine is CCCNC(CCC1CCCC1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine?
The InChIKey is XVCNLYXQCYFZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrFN/c1-2-11-20-17(10-7-13-5-3-4-6-13)14-8-9-16(19)15(18)12-14/h8-9,12-13,17,20H,2-7,10-11H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine?
1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine has a molecular weight of 342.30 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine is sourced from PubChem (CID 79747612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).