4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol

C17H20FNOS — CID 47018366

IUPAC4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H20FNOS/c18-13-3-1-12(2-4-13)17-10-9-16(21-17)11-19-14-5-7-15(20)8-6-14/h1-4,9-10,14-15,19-20H,5-8,11H2
InChIKeyBVCHZSCQJSPRPV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.95
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol

4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol (PubChem CID 47018366) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol
PubChem CID47018366
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC Name4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCC(NCc2ccc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C17H20FNOS/c18-13-3-1-12(2-4-13)17-10-9-16(21-17)11-19-14-5-7-15(20)8-6-14/h1-4,9-10,14-15,19-20H,5-8,11H2
InChIKeyBVCHZSCQJSPRPV-UHFFFAOYSA-N
XLogP3.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol (CID 47018366) is 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol is OC1CCC(NCc2ccc(-c3ccc(F)cc3)s2)CC1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol?
The InChIKey is BVCHZSCQJSPRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c18-13-3-1-12(2-4-13)17-10-9-16(21-17)11-19-14-5-7-15(20)8-6-14/h1-4,9-10,14-15,19-20H,5-8,11H2.
What are the key properties of 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol?
4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)thiophen-2-yl]methylamino]cyclohexan-1-ol is sourced from PubChem (CID 47018366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).