(8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine

C20H24FN — CID 53325861

IUPAC(8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESCN(CCc1cccc(F)c1)C1C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C20H24FN/c1-22(6-5-10-3-2-4-11(21)7-10)20-17-13-9-14-16-12(13)8-15(17)18(16)19(14)20/h2-4,7,12-20H,5-6,8-9H2,1H3
InChIKeyLGZPNSXZRKGUES-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.45
Rot. Bonds4

About (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine

(8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (PubChem CID 53325861) has the molecular formula C20H24FN and a molecular weight of 297.42 g/mol. Its IUPAC name is (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.

Molecular Properties

Compound Name(8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
PubChem CID53325861
Molecular FormulaC20H24FN
Molecular Weight297.42 g/mol
Exact Mass297.19
IUPAC Name(8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine
SMILESCN(CCc1cccc(F)c1)C1C2C3CC4C5C3CC2C5C41
InChIInChI=1S/C20H24FN/c1-22(6-5-10-3-2-4-11(21)7-10)20-17-13-9-14-16-12(13)8-15(17)18(16)19(14)20/h2-4,7,12-20H,5-6,8-9H2,1H3
InChIKeyLGZPNSXZRKGUES-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The IUPAC name of (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine (CID 53325861) is (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine.
What is the SMILES notation for (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The canonical SMILES for (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is CN(CCc1cccc(F)c1)C1C2C3CC4C5C3CC2C5C41.
What is the InChIKey of (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
The InChIKey is LGZPNSXZRKGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN/c1-22(6-5-10-3-2-4-11(21)7-10)20-17-13-9-14-16-12(13)8-15(17)18(16)19(14)20/h2-4,7,12-20H,5-6,8-9H2,1H3.
What are the key properties of (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine?
(8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine has a molecular weight of 297.42 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-[2-(3-fluorophenyl)ethyl]-N-methylpentacyclo[5.4.0.02,6.03,10.05,9]undecan-8-amine is sourced from PubChem (CID 53325861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).