1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine

C30H41F2N — CID 70243009

IUPAC1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
SMILESCCC(CCc1c(C2(F)CCCC2)cccc1C1(F)CCCC1)N(C)CCc1ccccc1
InChIInChI=1S/C30H41F2N/c1-3-25(33(2)23-18-24-12-5-4-6-13-24)16-17-26-27(29(31)19-7-8-20-29)14-11-15-28(26)30(32)21-9-10-22-30/h4-6,11-15,25H,3,7-10,16-23H2,1-2H3
InChIKeyFEXQSDSVQJTATF-UHFFFAOYSA-N
MW453.66 g/mol
LogP8.05
Rot. Bonds10

About 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine

1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine (PubChem CID 70243009) has the molecular formula C30H41F2N and a molecular weight of 453.66 g/mol. Its IUPAC name is 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine.

Molecular Properties

Compound Name1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
PubChem CID70243009
Molecular FormulaC30H41F2N
Molecular Weight453.66 g/mol
Exact Mass453.32
IUPAC Name1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
SMILESCCC(CCc1c(C2(F)CCCC2)cccc1C1(F)CCCC1)N(C)CCc1ccccc1
InChIInChI=1S/C30H41F2N/c1-3-25(33(2)23-18-24-12-5-4-6-13-24)16-17-26-27(29(31)19-7-8-20-29)14-11-15-28(26)30(32)21-9-10-22-30/h4-6,11-15,25H,3,7-10,16-23H2,1-2H3
InChIKeyFEXQSDSVQJTATF-UHFFFAOYSA-N
XLogP8.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.66
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
CID 70242614
N-benzyl-3-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 70241867
acetonitrile;3-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70243203
N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243872
N-benzyl-3-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-propylpropan-1-amine
CID 70243102
acetonitrile;1-[2,6-bis(1-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
CID 70238921
acetonitrile;N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243871
1-[4-(3,4-difluorocyclohexyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
CID 70243728
4-[2,6-bis(1-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70243099
2-N-methyl-2-N-(2-phenylethyl)-1-N-propylbutane-1,2-diamine
CID 65485985
N-methyl-4-phenyl-N-(2-phenylethyl)butan-2-amine;hydrochloride
CID 158803245
2-cyclopentyl-2-(4-fluorophenyl)-5-[methyl(2-phenylethyl)amino]heptanenitrile
CID 21181788

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine?
The IUPAC name of 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine (CID 70243009) is 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine.
What is the SMILES notation for 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine?
The canonical SMILES for 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine is CCC(CCc1c(C2(F)CCCC2)cccc1C1(F)CCCC1)N(C)CCc1ccccc1.
What is the InChIKey of 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine?
The InChIKey is FEXQSDSVQJTATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F2N/c1-3-25(33(2)23-18-24-12-5-4-6-13-24)16-17-26-27(29(31)19-7-8-20-29)14-11-15-28(26)30(32)21-9-10-22-30/h4-6,11-15,25H,3,7-10,16-23H2,1-2H3.
What are the key properties of 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine?
1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine has a molecular weight of 453.66 g/mol, XLogP of 8.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine is sourced from PubChem (CID 70243009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).