N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine

C14H14BrFN2 — CID 28579130

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
SMILESFc1ccc(Br)c(CNCCc2ccccn2)c1
InChIInChI=1S/C14H14BrFN2/c15-14-5-4-12(16)9-11(14)10-17-8-6-13-3-1-2-7-18-13/h1-5,7,9,17H,6,8,10H2
InChIKeyBZVJOYGQGNIKTA-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.32
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 28579130) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID28579130
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
SMILESFc1ccc(Br)c(CNCCc2ccccn2)c1
InChIInChI=1S/C14H14BrFN2/c15-14-5-4-12(16)9-11(14)10-17-8-6-13-3-1-2-7-18-13/h1-5,7,9,17H,6,8,10H2
InChIKeyBZVJOYGQGNIKTA-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 60902552
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 43220632
N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 54907341
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814
1-(2-bromo-5-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63306292
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 102876230
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 43220642
2-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62317287
N-[(2-cyclopropylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 79889626
2-bromo-4,6-difluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864008
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine (CID 28579130) is N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine is Fc1ccc(Br)c(CNCCc2ccccn2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is BZVJOYGQGNIKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-14-5-4-12(16)9-11(14)10-17-8-6-13-3-1-2-7-18-13/h1-5,7,9,17H,6,8,10H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 309.18 g/mol, XLogP of 3.32, 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]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 28579130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).