3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine

C23H30FN — CID 70241891

IUPAC3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCc1ccc(C2CC2F)cc1)CCc1ccccc1
InChIInChI=1S/C23H30FN/c1-18(2)25(16-14-19-7-4-3-5-8-19)15-6-9-20-10-12-21(13-11-20)22-17-23(22)24/h3-5,7-8,10-13,18,22-23H,6,9,14-17H2,1-2H3
InChIKeyLPXDRGROZUULLV-UHFFFAOYSA-N
MW339.50 g/mol
LogP5.40
Rot. Bonds9

About 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine

3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 70241891) has the molecular formula C23H30FN and a molecular weight of 339.50 g/mol. Its IUPAC name is 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
PubChem CID70241891
Molecular FormulaC23H30FN
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC Name3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)N(CCCc1ccc(C2CC2F)cc1)CCc1ccccc1
InChIInChI=1S/C23H30FN/c1-18(2)25(16-14-19-7-4-3-5-8-19)15-6-9-20-10-12-21(13-11-20)22-17-23(22)24/h3-5,7-8,10-13,18,22-23H,6,9,14-17H2,1-2H3
InChIKeyLPXDRGROZUULLV-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine (CID 70241891) is 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine is CC(C)N(CCCc1ccc(C2CC2F)cc1)CCc1ccccc1.
What is the InChIKey of 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is LPXDRGROZUULLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN/c1-18(2)25(16-14-19-7-4-3-5-8-19)15-6-9-20-10-12-21(13-11-20)22-17-23(22)24/h3-5,7-8,10-13,18,22-23H,6,9,14-17H2,1-2H3.
What are the key properties of 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine?
3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 339.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 70241891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).