N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine

C15H22BrFN2 — CID 63636123

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(F)ccc1Br)C1CCCNC1
InChIInChI=1S/C15H22BrFN2/c1-2-8-19(14-4-3-7-18-10-14)11-12-9-13(17)5-6-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyIBJBYNJHLNZVFT-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.55
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine

N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 63636123) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID63636123
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(F)ccc1Br)C1CCCNC1
InChIInChI=1S/C15H22BrFN2/c1-2-8-19(14-4-3-7-18-10-14)11-12-9-13(17)5-6-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyIBJBYNJHLNZVFT-UHFFFAOYSA-N
XLogP3.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119933025
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66215692
N-[(4-bromo-3-methylphenyl)methyl]-N-propylpiperidin-3-amine
CID 66480396
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932804
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine (CID 63636123) is N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1cc(F)ccc1Br)C1CCCNC1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is IBJBYNJHLNZVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-2-8-19(14-4-3-7-18-10-14)11-12-9-13(17)5-6-15(12)16/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine?
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 329.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 63636123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).