2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine

C20H24FNO — CID 82185958

IUPAC2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO/c21-18-9-5-16(6-10-18)14-23-19-11-7-15(8-12-19)13-17-3-1-2-4-20(17)22/h5-12,17,20H,1-4,13-14,22H2
InChIKeyKSNYWGKHVJQNFI-UHFFFAOYSA-N
MW313.42 g/mol
LogP4.46
Rot. Bonds5

About 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine

2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine (PubChem CID 82185958) has the molecular formula C20H24FNO and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
PubChem CID82185958
Molecular FormulaC20H24FNO
Molecular Weight313.42 g/mol
Exact Mass313.18
IUPAC Name2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc(OCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO/c21-18-9-5-16(6-10-18)14-23-19-11-7-15(8-12-19)13-17-3-1-2-4-20(17)22/h5-12,17,20H,1-4,13-14,22H2
InChIKeyKSNYWGKHVJQNFI-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine (CID 82185958) is 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine is NC1CCCCC1Cc1ccc(OCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
The InChIKey is KSNYWGKHVJQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO/c21-18-9-5-16(6-10-18)14-23-19-11-7-15(8-12-19)13-17-3-1-2-4-20(17)22/h5-12,17,20H,1-4,13-14,22H2.
What are the key properties of 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine?
2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine has a molecular weight of 313.42 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 82185958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).