1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine

C30H41F2N — CID 70242614

IUPAC1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
SMILESCCCN(CCc1ccccc1)C(CC)CCc1c(C2(F)CCC2)cccc1C1(F)CCC1
InChIInChI=1S/C30H41F2N/c1-3-22-33(23-17-24-11-6-5-7-12-24)25(4-2)15-16-26-27(29(31)18-9-19-29)13-8-14-28(26)30(32)20-10-21-30/h5-8,11-14,25H,3-4,9-10,15-23H2,1-2H3
InChIKeyLOFNIKYZARIIMJ-UHFFFAOYSA-N
MW453.66 g/mol
LogP8.05
Rot. Bonds12

About 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine

1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine (PubChem CID 70242614) has the molecular formula C30H41F2N and a molecular weight of 453.66 g/mol. Its IUPAC name is 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
PubChem CID70242614
Molecular FormulaC30H41F2N
Molecular Weight453.66 g/mol
Exact Mass453.32
IUPAC Name1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
SMILESCCCN(CCc1ccccc1)C(CC)CCc1c(C2(F)CCC2)cccc1C1(F)CCC1
InChIInChI=1S/C30H41F2N/c1-3-22-33(23-17-24-11-6-5-7-12-24)25(4-2)15-16-26-27(29(31)18-9-19-29)13-8-14-28(26)30(32)20-10-21-30/h5-8,11-14,25H,3-4,9-10,15-23H2,1-2H3
InChIKeyLOFNIKYZARIIMJ-UHFFFAOYSA-N
XLogP8.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
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-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
CID 70243009
acetonitrile;1-[2,6-bis(1-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
CID 70238921
acetonitrile;3-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70243203
N-benzyl-3-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-propylpropan-1-amine
CID 70243102
N-benzyl-3-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 70241867
N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243872
acetonitrile;N-(2-phenylethyl)-N-propyl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242722
4-[2,6-bis(1-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70243099
acetonitrile;N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243871
N-benzyl-4-[3,4-bis(1-fluorocyclopropyl)phenyl]-N-propylbutan-2-amine
CID 70238723
acetonitrile;1-[4-(2,3-dichlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
CID 70239066
N-ethyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)butan-2-amine
CID 70241422

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine?
The IUPAC name of 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine (CID 70242614) is 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine.
What is the SMILES notation for 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine?
The canonical SMILES for 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine is CCCN(CCc1ccccc1)C(CC)CCc1c(C2(F)CCC2)cccc1C1(F)CCC1.
What is the InChIKey of 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine?
The InChIKey is LOFNIKYZARIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F2N/c1-3-22-33(23-17-24-11-6-5-7-12-24)25(4-2)15-16-26-27(29(31)18-9-19-29)13-8-14-28(26)30(32)20-10-21-30/h5-8,11-14,25H,3-4,9-10,15-23H2,1-2H3.
What are the key properties of 1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine?
1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine has a molecular weight of 453.66 g/mol, XLogP of 8.05, 12 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-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine is sourced from PubChem (CID 70242614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).