(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine

C15H20FN — CID 112739931

IUPAC(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
SMILESFc1ccc(CCNC2CCC[C@H]3C[C@@H]23)cc1
InChIInChI=1S/C15H20FN/c16-13-6-4-11(5-7-13)8-9-17-15-3-1-2-12-10-14(12)15/h4-7,12,14-15,17H,1-3,8-10H2/t12-,14+,15?/m0/s1
InChIKeyWOJUMTSEMMGNGM-DJIKBVBFSA-N
MW233.33 g/mol
LogP3.15
Rot. Bonds4

About (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine

(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine (PubChem CID 112739931) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound Name(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
PubChem CID112739931
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine
SMILESFc1ccc(CCNC2CCC[C@H]3C[C@@H]23)cc1
InChIInChI=1S/C15H20FN/c16-13-6-4-11(5-7-13)8-9-17-15-3-1-2-12-10-14(12)15/h4-7,12,14-15,17H,1-3,8-10H2/t12-,14+,15?/m0/s1
InChIKeyWOJUMTSEMMGNGM-DJIKBVBFSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine?
The IUPAC name of (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine (CID 112739931) is (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine is Fc1ccc(CCNC2CCC[C@H]3C[C@@H]23)cc1.
What is the InChIKey of (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine?
The InChIKey is WOJUMTSEMMGNGM-DJIKBVBFSA-N. The full InChI is InChI=1S/C15H20FN/c16-13-6-4-11(5-7-13)8-9-17-15-3-1-2-12-10-14(12)15/h4-7,12,14-15,17H,1-3,8-10H2/t12-,14+,15?/m0/s1.
What are the key properties of (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine?
(1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine has a molecular weight of 233.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-[2-(4-fluorophenyl)ethyl]bicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 112739931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).