[1-(4-fluoro-3-methylanilino)cyclopentyl]methanol

C13H18FNO — CID 59683293

IUPAC[1-(4-fluoro-3-methylanilino)cyclopentyl]methanol
SMILESCc1cc(NC2(CO)CCCC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-8-11(4-5-12(10)14)15-13(9-16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9H2,1H3
InChIKeyHHEVZGRHJPOUEL-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.85
Rot. Bonds3

About [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol

[1-(4-fluoro-3-methylanilino)cyclopentyl]methanol (PubChem CID 59683293) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(4-fluoro-3-methylanilino)cyclopentyl]methanol
PubChem CID59683293
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[1-(4-fluoro-3-methylanilino)cyclopentyl]methanol
SMILESCc1cc(NC2(CO)CCCC2)ccc1F
InChIInChI=1S/C13H18FNO/c1-10-8-11(4-5-12(10)14)15-13(9-16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9H2,1H3
InChIKeyHHEVZGRHJPOUEL-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol?
The IUPAC name of [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol (CID 59683293) is [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol.
What is the SMILES notation for [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol?
The canonical SMILES for [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol is Cc1cc(NC2(CO)CCCC2)ccc1F.
What is the InChIKey of [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol?
The InChIKey is HHEVZGRHJPOUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-8-11(4-5-12(10)14)15-13(9-16)6-2-3-7-13/h4-5,8,15-16H,2-3,6-7,9H2,1H3.
What are the key properties of [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol?
[1-(4-fluoro-3-methylanilino)cyclopentyl]methanol has a molecular weight of 223.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methylanilino)cyclopentyl]methanol is sourced from PubChem (CID 59683293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).