cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine

C12H16FN — CID 142068530

IUPACcis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine
SMILESCc1cc(F)cc([C@H]2CCC[C@H]2N)c1
InChIInChI=1S/C12H16FN/c1-8-5-9(7-10(13)6-8)11-3-2-4-12(11)14/h5-7,11-12H,2-4,14H2,1H3/t11-,12-/m1/s1
InChIKeyKQNFJLVPJFJHIZ-VXGBXAGGSA-N
MW193.27 g/mol
LogP2.73
Rot. Bonds1

About cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine

cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine (PubChem CID 142068530) has the molecular formula C12H16FN and a molecular weight of 193.27 g/mol. Its IUPAC name is cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine
PubChem CID142068530
Molecular FormulaC12H16FN
Molecular Weight193.27 g/mol
Exact Mass193.13
IUPAC Namecis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine
SMILESCc1cc(F)cc([C@H]2CCC[C@H]2N)c1
InChIInChI=1S/C12H16FN/c1-8-5-9(7-10(13)6-8)11-3-2-4-12(11)14/h5-7,11-12H,2-4,14H2,1H3/t11-,12-/m1/s1
InChIKeyKQNFJLVPJFJHIZ-VXGBXAGGSA-N
XLogP2.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.73
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-(3-fluoro-5-methylphenyl)cyclopentan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine (CID 142068530) is cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine is Cc1cc(F)cc([C@H]2CCC[C@H]2N)c1.
What is the InChIKey of cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine?
The InChIKey is KQNFJLVPJFJHIZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-5-9(7-10(13)6-8)11-3-2-4-12(11)14/h5-7,11-12H,2-4,14H2,1H3/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine?
cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine has a molecular weight of 193.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(3-fluoro-5-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 142068530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).