N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine

C14H14BrFN2 — CID 80675173

IUPACN-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1N(CCBr)Cc1ccccc1
InChIInChI=1S/C14H14BrFN2/c15-8-10-18(11-12-5-2-1-3-6-12)14-13(16)7-4-9-17-14/h1-7,9H,8,10-11H2
InChIKeyHDRAETPLEGQQIY-UHFFFAOYSA-N
MW309.18 g/mol
LogP3.62
Rot. Bonds5

About N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine

N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine (PubChem CID 80675173) has the molecular formula C14H14BrFN2 and a molecular weight of 309.18 g/mol. Its IUPAC name is N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
PubChem CID80675173
Molecular FormulaC14H14BrFN2
Molecular Weight309.18 g/mol
Exact Mass308.03
IUPAC NameN-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine
SMILESFc1cccnc1N(CCBr)Cc1ccccc1
InChIInChI=1S/C14H14BrFN2/c15-8-10-18(11-12-5-2-1-3-6-12)14-13(16)7-4-9-17-14/h1-7,9H,8,10-11H2
InChIKeyHDRAETPLEGQQIY-UHFFFAOYSA-N
XLogP3.62
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-(3-fluoro-2-pyridinyl)propane-1,3-diamine
CID 107368121
N-benzyl-N-(2-bromoethyl)-3-methylpyridin-2-amine
CID 80675179
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-3-fluoropyridin-2-amine
CID 107489652
N'-benzyl-N'-(3-bromo-2-pyridinyl)ethane-1,2-diamine
CID 61375800
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
N-benzyl-2-bromo-N-[(2-fluorophenyl)methyl]ethanamine
CID 80680387
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
N-benzyl-N-(2-bromoethyl)pyrido[2,3-b]pyrazin-6-amine
CID 80674401
3-fluoro-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 171702410
2-[(3-fluoro-2-pyridinyl)-[(2-methoxyphenyl)methyl]amino]ethanol
CID 91651077
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine (CID 80675173) is N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine is Fc1cccnc1N(CCBr)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine?
The InChIKey is HDRAETPLEGQQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2/c15-8-10-18(11-12-5-2-1-3-6-12)14-13(16)7-4-9-17-14/h1-7,9H,8,10-11H2.
What are the key properties of N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine?
N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine has a molecular weight of 309.18 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-bromoethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 80675173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).