[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol

C15H22FNO — CID 62272788

IUPAC[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
SMILESCCN(CC1(CO)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-2-17(14-7-5-13(16)6-8-14)11-15(12-18)9-3-4-10-15/h5-8,18H,2-4,9-12H2,1H3
InChIKeyXOMPDJMUBUANDB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.20
Rot. Bonds5

About [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol

[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol (PubChem CID 62272788) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
PubChem CID62272788
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol
SMILESCCN(CC1(CO)CCCC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO/c1-2-17(14-7-5-13(16)6-8-14)11-15(12-18)9-3-4-10-15/h5-8,18H,2-4,9-12H2,1H3
InChIKeyXOMPDJMUBUANDB-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol (CID 62272788) is [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol is CCN(CC1(CO)CCCC1)c1ccc(F)cc1.
What is the InChIKey of [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol?
The InChIKey is XOMPDJMUBUANDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-17(14-7-5-13(16)6-8-14)11-15(12-18)9-3-4-10-15/h5-8,18H,2-4,9-12H2,1H3.
What are the key properties of [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol?
[1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol has a molecular weight of 251.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(N-ethyl-4-fluoroanilino)methyl]cyclopentyl]methanol is sourced from PubChem (CID 62272788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).