4-fluoro-3-methoxy-N-methylcyclohexan-1-amine

C8H16FNO — CID 123464531

IUPAC4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
SMILESCNC1CCC(F)C(OC)C1
InChIInChI=1S/C8H16FNO/c1-10-6-3-4-7(9)8(5-6)11-2/h6-8,10H,3-5H2,1-2H3
InChIKeyKAWDMPIXBFTOBN-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds2

About 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine

4-fluoro-3-methoxy-N-methylcyclohexan-1-amine (PubChem CID 123464531) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
PubChem CID123464531
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-fluoro-3-methoxy-N-methylcyclohexan-1-amine
SMILESCNC1CCC(F)C(OC)C1
InChIInChI=1S/C8H16FNO/c1-10-6-3-4-7(9)8(5-6)11-2/h6-8,10H,3-5H2,1-2H3
InChIKeyKAWDMPIXBFTOBN-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine?
The IUPAC name of 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine (CID 123464531) is 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine is CNC1CCC(F)C(OC)C1.
What is the InChIKey of 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine?
The InChIKey is KAWDMPIXBFTOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-10-6-3-4-7(9)8(5-6)11-2/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine?
4-fluoro-3-methoxy-N-methylcyclohexan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-N-methylcyclohexan-1-amine is sourced from PubChem (CID 123464531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).