1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol

C15H22FNO — CID 107412879

IUPAC1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol
SMILESCC1CCC(CNCC(O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO/c1-11-2-3-12(8-11)9-17-10-15(18)13-4-6-14(16)7-5-13/h4-7,11-12,15,17-18H,2-3,8-10H2,1H3
InChIKeyAFDAYFUGPKGTPD-UHFFFAOYSA-N
MW251.34 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol

1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol (PubChem CID 107412879) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol
PubChem CID107412879
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol
SMILESCC1CCC(CNCC(O)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FNO/c1-11-2-3-12(8-11)9-17-10-15(18)13-4-6-14(16)7-5-13/h4-7,11-12,15,17-18H,2-3,8-10H2,1H3
InChIKeyAFDAYFUGPKGTPD-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol (CID 107412879) is 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol is CC1CCC(CNCC(O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol?
The InChIKey is AFDAYFUGPKGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-11-2-3-12(8-11)9-17-10-15(18)13-4-6-14(16)7-5-13/h4-7,11-12,15,17-18H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol?
1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol has a molecular weight of 251.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(3-methylcyclopentyl)methylamino]ethanol is sourced from PubChem (CID 107412879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).