N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine

C26H33F2N — CID 70243872

IUPACN-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)CCc1c(C2(F)CC2)cccc1C1(F)CC1
InChIInChI=1S/C26H33F2N/c1-19(2)29(18-21-8-5-4-6-9-21)20(3)12-13-22-23(25(27)14-15-25)10-7-11-24(22)26(28)16-17-26/h4-11,19-20H,12-18H2,1-3H3
InChIKeyRIFKTEIINXTSLS-UHFFFAOYSA-N
MW397.55 g/mol
LogP6.84
Rot. Bonds9

About N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine

N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine (PubChem CID 70243872) has the molecular formula C26H33F2N and a molecular weight of 397.55 g/mol. Its IUPAC name is N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
PubChem CID70243872
Molecular FormulaC26H33F2N
Molecular Weight397.55 g/mol
Exact Mass397.26
IUPAC NameN-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
SMILESCC(C)N(Cc1ccccc1)C(C)CCc1c(C2(F)CC2)cccc1C1(F)CC1
InChIInChI=1S/C26H33F2N/c1-19(2)29(18-21-8-5-4-6-9-21)20(3)12-13-22-23(25(27)14-15-25)10-7-11-24(22)26(28)16-17-26/h4-11,19-20H,12-18H2,1-3H3
InChIKeyRIFKTEIINXTSLS-UHFFFAOYSA-N
XLogP6.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.55
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

acetonitrile;N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243871
N-benzyl-3-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 70241867
4-[2,6-bis(1-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70243099
acetonitrile;4-[2,6-bis(1-chlorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70241659
N-benzyl-3-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-propylpropan-1-amine
CID 70243102
1-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-methyl-N-(2-phenylethyl)pentan-3-amine
CID 70243009
1-[2,6-bis(1-fluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
CID 70242614
N-benzyl-4-[3,4-bis(1-fluorocyclopropyl)phenyl]-N-propylbutan-2-amine
CID 70238723
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616
N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70241789
acetonitrile;N-benzyl-4-[4-(2-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243066
N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70238734

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine?
The IUPAC name of N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine (CID 70243872) is N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine?
The canonical SMILES for N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine is CC(C)N(Cc1ccccc1)C(C)CCc1c(C2(F)CC2)cccc1C1(F)CC1.
What is the InChIKey of N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine?
The InChIKey is RIFKTEIINXTSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N/c1-19(2)29(18-21-8-5-4-6-9-21)20(3)12-13-22-23(25(27)14-15-25)10-7-11-24(22)26(28)16-17-26/h4-11,19-20H,12-18H2,1-3H3.
What are the key properties of N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine?
N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine has a molecular weight of 397.55 g/mol, XLogP of 6.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2,6-bis(1-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 70243872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).