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

C12H16BrFN2 — CID 80669537

IUPACN-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
SMILESFc1cccnc1N(CCBr)C1CCCC1
InChIInChI=1S/C12H16BrFN2/c13-7-9-16(10-4-1-2-5-10)12-11(14)6-3-8-15-12/h3,6,8,10H,1-2,4-5,7,9H2
InChIKeyVKLAOVSJTPCMSO-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.36
Rot. Bonds4

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

N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine (PubChem CID 80669537) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
PubChem CID80669537
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
SMILESFc1cccnc1N(CCBr)C1CCCC1
InChIInChI=1S/C12H16BrFN2/c13-7-9-16(10-4-1-2-5-10)12-11(14)6-3-8-15-12/h3,6,8,10H,1-2,4-5,7,9H2
InChIKeyVKLAOVSJTPCMSO-UHFFFAOYSA-N
XLogP3.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine (CID 80669537) is N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine is Fc1cccnc1N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine?
The InChIKey is VKLAOVSJTPCMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-7-9-16(10-4-1-2-5-10)12-11(14)6-3-8-15-12/h3,6,8,10H,1-2,4-5,7,9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine?
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine has a molecular weight of 287.18 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 80669537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).