[4-(cyclohexylamino)-2-fluorophenyl]methanol

C13H18FNO — CID 126652148

IUPAC[4-(cyclohexylamino)-2-fluorophenyl]methanol
SMILESOCc1ccc(NC2CCCCC2)cc1F
InChIInChI=1S/C13H18FNO/c14-13-8-12(7-6-10(13)9-16)15-11-4-2-1-3-5-11/h6-8,11,15-16H,1-5,9H2
InChIKeyPIDHZGRLRUBMIR-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.06
Rot. Bonds3

About [4-(cyclohexylamino)-2-fluorophenyl]methanol

[4-(cyclohexylamino)-2-fluorophenyl]methanol (PubChem CID 126652148) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is [4-(cyclohexylamino)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(cyclohexylamino)-2-fluorophenyl]methanol
PubChem CID126652148
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name[4-(cyclohexylamino)-2-fluorophenyl]methanol
SMILESOCc1ccc(NC2CCCCC2)cc1F
InChIInChI=1S/C13H18FNO/c14-13-8-12(7-6-10(13)9-16)15-11-4-2-1-3-5-11/h6-8,11,15-16H,1-5,9H2
InChIKeyPIDHZGRLRUBMIR-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclohexylamino)-2-fluorophenyl]methanol?
The IUPAC name of [4-(cyclohexylamino)-2-fluorophenyl]methanol (CID 126652148) is [4-(cyclohexylamino)-2-fluorophenyl]methanol.
What is the SMILES notation for [4-(cyclohexylamino)-2-fluorophenyl]methanol?
The canonical SMILES for [4-(cyclohexylamino)-2-fluorophenyl]methanol is OCc1ccc(NC2CCCCC2)cc1F.
What is the InChIKey of [4-(cyclohexylamino)-2-fluorophenyl]methanol?
The InChIKey is PIDHZGRLRUBMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-13-8-12(7-6-10(13)9-16)15-11-4-2-1-3-5-11/h6-8,11,15-16H,1-5,9H2.
What are the key properties of [4-(cyclohexylamino)-2-fluorophenyl]methanol?
[4-(cyclohexylamino)-2-fluorophenyl]methanol has a molecular weight of 223.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclohexylamino)-2-fluorophenyl]methanol is sourced from PubChem (CID 126652148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).