cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine

C12H18FN — CID 89089180

IUPACcis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
SMILESCN[C@@H]1CCC[C@@H]1C1C=CC(F)=CC1
InChIInChI=1S/C12H18FN/c1-14-12-4-2-3-11(12)9-5-7-10(13)8-6-9/h5,7-9,11-12,14H,2-4,6H2,1H3/t9?,11-,12-/m1/s1
InChIKeyPTKIBJFCVGYFGE-JZXPMDSESA-N
MW195.28 g/mol
LogP2.80
Rot. Bonds2

About cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine

cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine (PubChem CID 89089180) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
PubChem CID89089180
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Namecis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine
SMILESCN[C@@H]1CCC[C@@H]1C1C=CC(F)=CC1
InChIInChI=1S/C12H18FN/c1-14-12-4-2-3-11(12)9-5-7-10(13)8-6-9/h5,7-9,11-12,14H,2-4,6H2,1H3/t9?,11-,12-/m1/s1
InChIKeyPTKIBJFCVGYFGE-JZXPMDSESA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine (CID 89089180) is cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine is CN[C@@H]1CCC[C@@H]1C1C=CC(F)=CC1.
What is the InChIKey of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine?
The InChIKey is PTKIBJFCVGYFGE-JZXPMDSESA-N. The full InChI is InChI=1S/C12H18FN/c1-14-12-4-2-3-11(12)9-5-7-10(13)8-6-9/h5,7-9,11-12,14H,2-4,6H2,1H3/t9?,11-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine?
cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(4-fluorocyclohexa-2,4-dien-1-yl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 89089180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).