1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol

C14H20FNO — CID 79128874

IUPAC1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1(CN)CCCC1
InChIInChI=1S/C14H20FNO/c1-13(17,11-5-4-6-12(15)9-11)14(10-16)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10,16H2,1H3
InChIKeyQMMAWOIAEJEFIL-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.55
Rot. Bonds3

About 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol

1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol (PubChem CID 79128874) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol
PubChem CID79128874
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1(CN)CCCC1
InChIInChI=1S/C14H20FNO/c1-13(17,11-5-4-6-12(15)9-11)14(10-16)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10,16H2,1H3
InChIKeyQMMAWOIAEJEFIL-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol (CID 79128874) is 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol is CC(O)(c1cccc(F)c1)C1(CN)CCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol?
The InChIKey is QMMAWOIAEJEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-13(17,11-5-4-6-12(15)9-11)14(10-16)7-2-3-8-14/h4-6,9,17H,2-3,7-8,10,16H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol?
1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopentyl]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 79128874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).