N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine

C14H14BrFN2 — CID 60902552

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
SMILESFc1ccc(Br)c(CNCCc2ccncc2)c1
InChIInChI=1S/C14H14BrFN2/c15-14-2-1-13(16)9-12(14)10-18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10H2
InChIKeyRDPQRJUNILQMKS-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.32
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine

N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine (PubChem CID 60902552) 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-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
PubChem CID60902552
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine
SMILESFc1ccc(Br)c(CNCCc2ccncc2)c1
InChIInChI=1S/C14H14BrFN2/c15-14-2-1-13(16)9-12(14)10-18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10H2
InChIKeyRDPQRJUNILQMKS-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-[(2,5-difluorophenyl)methyl]-2-pyridin-4-ylethanamine
CID 54944073
N-[(4-fluoro-2-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 62134095
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 28579130
N-[(2-bromo-4-methylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 115556824
2-bromo-4-fluoro-N-(2-pyridin-4-ylethyl)aniline
CID 60864895
N-[(2-bromo-5-fluorophenyl)methyl]-2-(furan-2-yl)ethanamine
CID 54907341
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
N-[(2-bromo-5-fluorophenyl)methyl]-1-(3,5-difluorophenyl)methanamine
CID 115767644
4-bromo-2-[(2-pyridin-4-ylethylamino)methyl]phenol
CID 103773788
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-bromo-3-pyridinyl)methanamine
CID 113454135
N-[(2-bromo-5-fluorophenyl)methyl]octan-1-amine
CID 55191408
3-bromo-N-[(2-bromo-5-fluorophenyl)methyl]pyridin-4-amine
CID 113452010

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine (CID 60902552) is N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine is Fc1ccc(Br)c(CNCCc2ccncc2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
The InChIKey is RDPQRJUNILQMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-14-2-1-13(16)9-12(14)10-18-8-5-11-3-6-17-7-4-11/h1-4,6-7,9,18H,5,8,10H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-ylethanamine?
N-[(2-bromo-5-fluorophenyl)methyl]-2-pyridin-4-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-4-ylethanamine is sourced from PubChem (CID 60902552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).