1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine

C13H18FNO — CID 64573531

IUPAC1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H18FNO/c14-12-5-3-11(4-6-12)9-16-10-13(15)7-1-2-8-13/h3-6H,1-2,7-10,15H2
InChIKeyPGRMKURHGDEKTI-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds4

About 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine

1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine (PubChem CID 64573531) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
PubChem CID64573531
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine
SMILESNC1(COCc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H18FNO/c14-12-5-3-11(4-6-12)9-16-10-13(15)7-1-2-8-13/h3-6H,1-2,7-10,15H2
InChIKeyPGRMKURHGDEKTI-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine (CID 64573531) is 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine is NC1(COCc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
The InChIKey is PGRMKURHGDEKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-5-3-11(4-6-12)9-16-10-13(15)7-1-2-8-13/h3-6H,1-2,7-10,15H2.
What are the key properties of 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine?
1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 64573531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).