N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine

C25H33F2N — CID 70241311

IUPACN-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
SMILESCCC(CCc1ccc(C2CC(F)C2F)cc1)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C25H33F2N/c1-4-22(28(18(2)3)17-20-8-6-5-7-9-20)15-12-19-10-13-21(14-11-19)23-16-24(26)25(23)27/h5-11,13-14,18,22-25H,4,12,15-17H2,1-3H3
InChIKeyOSUJTBZDYAUQGD-UHFFFAOYSA-N
MW385.54 g/mol
LogP6.47
Rot. Bonds9

About N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine

N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine (PubChem CID 70241311) has the molecular formula C25H33F2N and a molecular weight of 385.54 g/mol. Its IUPAC name is N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine.

Molecular Properties

Compound NameN-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
PubChem CID70241311
Molecular FormulaC25H33F2N
Molecular Weight385.54 g/mol
Exact Mass385.26
IUPAC NameN-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
SMILESCCC(CCc1ccc(C2CC(F)C2F)cc1)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C25H33F2N/c1-4-22(28(18(2)3)17-20-8-6-5-7-9-20)15-12-19-10-13-21(14-11-19)23-16-24(26)25(23)27/h5-11,13-14,18,22-25H,4,12,15-17H2,1-3H3
InChIKeyOSUJTBZDYAUQGD-UHFFFAOYSA-N
XLogP6.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241233
1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70241618
N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
CID 70238656
1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242599
acetonitrile;N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-methylbutan-2-amine
CID 70241157
acetonitrile;N-benzyl-4-[4-(2-fluorocyclopropyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70243066
acetonitrile;1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242598
N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70238734
N-benzyl-4-[4-(2,6-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70241789
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70244106
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242993

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
The IUPAC name of N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine (CID 70241311) is N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine.
What is the SMILES notation for N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
The canonical SMILES for N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine is CCC(CCc1ccc(C2CC(F)C2F)cc1)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
The InChIKey is OSUJTBZDYAUQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F2N/c1-4-22(28(18(2)3)17-20-8-6-5-7-9-20)15-12-19-10-13-21(14-11-19)23-16-24(26)25(23)27/h5-11,13-14,18,22-25H,4,12,15-17H2,1-3H3.
What are the key properties of N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine has a molecular weight of 385.54 g/mol, XLogP of 6.47, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine is sourced from PubChem (CID 70241311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).