1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol

C25H28FNO — CID 11560657

IUPAC1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CNCc2ccc(F)cc2)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C25H28FNO/c26-23-12-8-19(9-13-23)17-27-18-24(25(28)14-4-1-5-15-25)22-11-10-20-6-2-3-7-21(20)16-22/h2-3,6-13,16,24,27-28H,1,4-5,14-15,17-18H2
InChIKeyJCKFJGNWEAEEMB-UHFFFAOYSA-N
MW377.50 g/mol
LogP5.55
Rot. Bonds6

About 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol

1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol (PubChem CID 11560657) has the molecular formula C25H28FNO and a molecular weight of 377.50 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
PubChem CID11560657
Molecular FormulaC25H28FNO
Molecular Weight377.50 g/mol
Exact Mass377.22
IUPAC Name1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol
SMILESOC1(C(CNCc2ccc(F)cc2)c2ccc3ccccc3c2)CCCCC1
InChIInChI=1S/C25H28FNO/c26-23-12-8-19(9-13-23)17-27-18-24(25(28)14-4-1-5-15-25)22-11-10-20-6-2-3-7-21(20)16-22/h2-3,6-13,16,24,27-28H,1,4-5,14-15,17-18H2
InChIKeyJCKFJGNWEAEEMB-UHFFFAOYSA-N
XLogP5.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.50
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol (CID 11560657) is 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol is OC1(C(CNCc2ccc(F)cc2)c2ccc3ccccc3c2)CCCCC1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
The InChIKey is JCKFJGNWEAEEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO/c26-23-12-8-19(9-13-23)17-27-18-24(25(28)14-4-1-5-15-25)22-11-10-20-6-2-3-7-21(20)16-22/h2-3,6-13,16,24,27-28H,1,4-5,14-15,17-18H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol?
1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol has a molecular weight of 377.50 g/mol, XLogP of 5.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methylamino]-1-naphthalen-2-ylethyl]cyclohexan-1-ol is sourced from PubChem (CID 11560657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).