2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol

C19H22FNO — CID 45488897

IUPAC2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1CNC1CCCCC1
InChIInChI=1S/C19H22FNO/c20-17-9-6-14(7-10-17)15-8-11-19(22)16(12-15)13-21-18-4-2-1-3-5-18/h6-12,18,21-22H,1-5,13H2
InChIKeyWIEPRICGBXKDKU-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.62
Rot. Bonds4

About 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol

2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol (PubChem CID 45488897) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol.

Molecular Properties

Compound Name2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol
PubChem CID45488897
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol
SMILESOc1ccc(-c2ccc(F)cc2)cc1CNC1CCCCC1
InChIInChI=1S/C19H22FNO/c20-17-9-6-14(7-10-17)15-8-11-19(22)16(12-15)13-21-18-4-2-1-3-5-18/h6-12,18,21-22H,1-5,13H2
InChIKeyWIEPRICGBXKDKU-UHFFFAOYSA-N
XLogP4.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol?
The IUPAC name of 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol (CID 45488897) is 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol.
What is the SMILES notation for 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol?
The canonical SMILES for 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol is Oc1ccc(-c2ccc(F)cc2)cc1CNC1CCCCC1.
What is the InChIKey of 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol?
The InChIKey is WIEPRICGBXKDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO/c20-17-9-6-14(7-10-17)15-8-11-19(22)16(12-15)13-21-18-4-2-1-3-5-18/h6-12,18,21-22H,1-5,13H2.
What are the key properties of 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol?
2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol has a molecular weight of 299.39 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylamino)methyl]-4-(4-fluorophenyl)phenol is sourced from PubChem (CID 45488897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).