N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine

C12H15ClF2N2 — CID 112676581

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
SMILESFc1cnc(NCC2CCCC2CCl)c(F)c1
InChIInChI=1S/C12H15ClF2N2/c13-5-8-2-1-3-9(8)6-16-12-11(15)4-10(14)7-17-12/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyHQKRLMHTYFXCIQ-UHFFFAOYSA-N
MW260.71 g/mol
LogP3.43
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine

N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine (PubChem CID 112676581) has the molecular formula C12H15ClF2N2 and a molecular weight of 260.71 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
PubChem CID112676581
Molecular FormulaC12H15ClF2N2
Molecular Weight260.71 g/mol
Exact Mass260.09
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine
SMILESFc1cnc(NCC2CCCC2CCl)c(F)c1
InChIInChI=1S/C12H15ClF2N2/c13-5-8-2-1-3-9(8)6-16-12-11(15)4-10(14)7-17-12/h4,7-9H,1-3,5-6H2,(H,16,17)
InChIKeyHQKRLMHTYFXCIQ-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 53.43
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

[2-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112675954
3,5-difluoro-N-[(2-methylcyclopentyl)methyl]pyridin-2-amine
CID 107419343
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
4-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106130548
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
CID 114047966
3-[[(3,5-difluoro-2-pyridinyl)amino]methyl]cyclobutan-1-ol
CID 112675958
N-(3-chloropropyl)-3,5-difluoropyridin-2-amine
CID 112676550
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-iodopyrimidin-4-amine
CID 66318483
5-fluoro-2-[(2-methylcyclopentyl)methylamino]pyridine-3-carboxylic acid
CID 114034559
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
5-chloro-3-fluoro-N-[(2-methylcyclopropyl)methyl]pyridin-2-amine
CID 115681742
5-chloro-4-[[2-(chloromethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136971931

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine (CID 112676581) is N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine is Fc1cnc(NCC2CCCC2CCl)c(F)c1.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
The InChIKey is HQKRLMHTYFXCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2N2/c13-5-8-2-1-3-9(8)6-16-12-11(15)4-10(14)7-17-12/h4,7-9H,1-3,5-6H2,(H,16,17).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine?
N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine has a molecular weight of 260.71 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).