2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride

C12H16ClF2NO — CID 154928203

IUPAC2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCCC1COc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO.ClH/c13-9-4-5-12(10(14)6-9)16-7-8-2-1-3-11(8)15;/h4-6,8,11H,1-3,7,15H2;1H
InChIKeyREPKXTJUUMNMGJ-UHFFFAOYSA-N
MW263.71 g/mol
LogP2.89
Rot. Bonds3

About 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride

2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride (PubChem CID 154928203) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
PubChem CID154928203
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Name2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride
SMILESCl.NC1CCCC1COc1ccc(F)cc1F
InChIInChI=1S/C12H15F2NO.ClH/c13-9-4-5-12(10(14)6-9)16-7-8-2-1-3-11(8)15;/h4-6,8,11H,1-3,7,15H2;1H
InChIKeyREPKXTJUUMNMGJ-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride (CID 154928203) is 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride is Cl.NC1CCCC1COc1ccc(F)cc1F.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
The InChIKey is REPKXTJUUMNMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO.ClH/c13-9-4-5-12(10(14)6-9)16-7-8-2-1-3-11(8)15;/h4-6,8,11H,1-3,7,15H2;1H.
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride?
2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride has a molecular weight of 263.71 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 154928203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).