3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole

C30H31F3N2 — CID 69367148

IUPAC3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
SMILESCCCc1ccc(CN2CCC(c3cn(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)C2)cc1
InChIInChI=1S/C30H31F3N2/c1-2-5-22-8-10-23(11-9-22)18-34-17-16-25(20-34)28-21-35(29-7-4-3-6-27(28)29)19-24-12-14-26(15-13-24)30(31,32)33/h3-4,6-15,21,25H,2,5,16-20H2,1H3
InChIKeyFKYAKZPNQHBVHP-UHFFFAOYSA-N
MW476.59 g/mol
LogP7.65
Rot. Bonds7

About 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole

3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole (PubChem CID 69367148) has the molecular formula C30H31F3N2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole.

Molecular Properties

Compound Name3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
PubChem CID69367148
Molecular FormulaC30H31F3N2
Molecular Weight476.59 g/mol
Exact Mass476.24
IUPAC Name3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole
SMILESCCCc1ccc(CN2CCC(c3cn(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)C2)cc1
InChIInChI=1S/C30H31F3N2/c1-2-5-22-8-10-23(11-9-22)18-34-17-16-25(20-34)28-21-35(29-7-4-3-6-27(28)29)19-24-12-14-26(15-13-24)30(31,32)33/h3-4,6-15,21,25H,2,5,16-20H2,1H3
InChIKeyFKYAKZPNQHBVHP-UHFFFAOYSA-N
XLogP7.65
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The IUPAC name of 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole (CID 69367148) is 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole.
What is the SMILES notation for 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The canonical SMILES for 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole is CCCc1ccc(CN2CCC(c3cn(Cc4ccc(C(F)(F)F)cc4)c4ccccc34)C2)cc1.
What is the InChIKey of 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
The InChIKey is FKYAKZPNQHBVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N2/c1-2-5-22-8-10-23(11-9-22)18-34-17-16-25(20-34)28-21-35(29-7-4-3-6-27(28)29)19-24-12-14-26(15-13-24)30(31,32)33/h3-4,6-15,21,25H,2,5,16-20H2,1H3.
What are the key properties of 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole?
3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole has a molecular weight of 476.59 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole is sourced from PubChem (CID 69367148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).