N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine

C15H16BrFN2 — CID 112582510

IUPACN-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CCNCc1cccc(Br)n1
InChIInChI=1S/C15H16BrFN2/c1-11-9-13(17)6-5-12(11)7-8-18-10-14-3-2-4-15(16)19-14/h2-6,9,18H,7-8,10H2,1H3
InChIKeyKJRKFYPPADOYHQ-UHFFFAOYSA-N
MW323.21 g/mol
LogP3.62
Rot. Bonds5

About N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine

N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine (PubChem CID 112582510) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
PubChem CID112582510
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
SMILESCc1cc(F)ccc1CCNCc1cccc(Br)n1
InChIInChI=1S/C15H16BrFN2/c1-11-9-13(17)6-5-12(11)7-8-18-10-14-3-2-4-15(16)19-14/h2-6,9,18H,7-8,10H2,1H3
InChIKeyKJRKFYPPADOYHQ-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(6-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 103953076
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
2-chloro-6-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 115908417
N-[[3-(difluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 115526630
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 112582356
2-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 79267953
N-[2-[(6-bromo-2-pyridinyl)methylamino]ethyl]methanesulfonamide
CID 112581880
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
2-(4-fluoro-2-methylphenyl)ethylhydrazine
CID 105220815
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
2-fluoro-4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]phenol
CID 107685868
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698840

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine (CID 112582510) is N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine is Cc1cc(F)ccc1CCNCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
The InChIKey is KJRKFYPPADOYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-11-9-13(17)6-5-12(11)7-8-18-10-14-3-2-4-15(16)19-14/h2-6,9,18H,7-8,10H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine?
N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine has a molecular weight of 323.21 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-2-(4-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 112582510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).