3-[(4-fluorophenyl)methyl]cyclohexan-1-amine

C13H18FN — CID 64504117

IUPAC3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11,13H,1-3,8-9,15H2
InChIKeyONZSMMWCAGJDOD-UHFFFAOYSA-N
MW207.29 g/mol
LogP2.89
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine

3-[(4-fluorophenyl)methyl]cyclohexan-1-amine (PubChem CID 64504117) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
PubChem CID64504117
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name3-[(4-fluorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C13H18FN/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11,13H,1-3,8-9,15H2
InChIKeyONZSMMWCAGJDOD-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine (CID 64504117) is 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine is NC1CCCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is ONZSMMWCAGJDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11,13H,1-3,8-9,15H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine?
3-[(4-fluorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64504117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).