N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine

C11H14ClFN2 — CID 106365501

IUPACN-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NC1CCCC1CCl
InChIInChI=1S/C11H14ClFN2/c12-7-8-3-1-5-10(8)15-11-9(13)4-2-6-14-11/h2,4,6,8,10H,1,3,5,7H2,(H,14,15)
InChIKeyUJCGUPFBJNGMBA-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.04
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine

N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine (PubChem CID 106365501) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine
PubChem CID106365501
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine
SMILESFc1cccnc1NC1CCCC1CCl
InChIInChI=1S/C11H14ClFN2/c12-7-8-3-1-5-10(8)15-11-9(13)4-2-6-14-11/h2,4,6,8,10H,1,3,5,7H2,(H,14,15)
InChIKeyUJCGUPFBJNGMBA-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(propan-2-yl)pyridin-2-amine
CID 2366450
N-[(4-fluorophenyl)methyl]pyridin-2-amine
CID 462454
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446
5-[(cyclopropylamino)methyl]-N-[(4-fluorophenyl)methyl]pyridin-2-amine
CID 169284588
N1-(5-(trifluoromethyl)pyridin-2-yl)propane-1,3-diamine
CID 2987976
5-[(E)-2-(2,6-difluorophenyl)ethenyl]-N-ethylpyridin-2-amine
CID 118707601
5-[(E)-2-(2-chloro-6-fluorophenyl)ethenyl]-N-methylpyridin-2-amine
CID 118707603
N-benzylpyridin-2-amine;hydrochloride
CID 3051381
N-ethyl-3-fluoropyridin-2-amine
CID 10558697
N-Isopropyl-5-(trifluoromethyl)pyridin-2-amine
CID 2991704
N-butyl-5-(trifluoromethyl)pyridin-2-amine
CID 2991835
N-cyclohexyl-5-(trifluoromethyl)pyridin-2-amine
CID 2992539

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine (CID 106365501) is N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine is Fc1cccnc1NC1CCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine?
The InChIKey is UJCGUPFBJNGMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c12-7-8-3-1-5-10(8)15-11-9(13)4-2-6-14-11/h2,4,6,8,10H,1,3,5,7H2,(H,14,15).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine?
N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine has a molecular weight of 228.70 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 106365501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).