1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

C16H24FN — CID 63411451

IUPAC1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(Cc2ccccc2F)CC1
InChIInChI=1S/C16H24FN/c1-12(2)13-7-9-16(18,10-8-13)11-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11,18H2,1-2H3
InChIKeyJOYIZCXILNAYJW-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.91
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine

1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63411451) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID63411451
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)(Cc2ccccc2F)CC1
InChIInChI=1S/C16H24FN/c1-12(2)13-7-9-16(18,10-8-13)11-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11,18H2,1-2H3
InChIKeyJOYIZCXILNAYJW-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine (CID 63411451) is 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is JOYIZCXILNAYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-12(2)13-7-9-16(18,10-8-13)11-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11,18H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine?
1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63411451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).