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

C25H34FN — CID 70241233

IUPACN-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
SMILESCCC(CCc1ccc(C2CCC2F)cc1)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C25H34FN/c1-4-23(27(19(2)3)18-21-8-6-5-7-9-21)15-12-20-10-13-22(14-11-20)24-16-17-25(24)26/h5-11,13-14,19,23-25H,4,12,15-18H2,1-3H3
InChIKeyUFIITVPZPIQGHZ-UHFFFAOYSA-N
MW367.55 g/mol
LogP6.52
Rot. Bonds9

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

N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine (PubChem CID 70241233) has the molecular formula C25H34FN and a molecular weight of 367.55 g/mol. Its IUPAC name is N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine.

Molecular Properties

Compound NameN-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
PubChem CID70241233
Molecular FormulaC25H34FN
Molecular Weight367.55 g/mol
Exact Mass367.27
IUPAC NameN-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
SMILESCCC(CCc1ccc(C2CCC2F)cc1)N(Cc1ccccc1)C(C)C
InChIInChI=1S/C25H34FN/c1-4-23(27(19(2)3)18-21-8-6-5-7-9-21)15-12-20-10-13-22(14-11-20)24-16-17-25(24)26/h5-11,13-14,19,23-25H,4,12,15-18H2,1-3H3
InChIKeyUFIITVPZPIQGHZ-UHFFFAOYSA-N
XLogP6.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.55
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-[4-(2,3-difluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine
CID 70241311
1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70241618
1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242599
acetonitrile;N-benzyl-1-[4-(2-fluorocyclopentyl)phenyl]-N-methylpentan-3-amine
CID 70244067
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
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
acetonitrile;N-benzyl-1-[4-(2-fluorocyclohexyl)phenyl]-N-propylpentan-3-amine
CID 70243681
N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
CID 70243837
acetonitrile;1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242598

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
The IUPAC name of N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine (CID 70241233) is N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine.
What is the SMILES notation for N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
The canonical SMILES for N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine is CCC(CCc1ccc(C2CCC2F)cc1)N(Cc1ccccc1)C(C)C.
What is the InChIKey of N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
The InChIKey is UFIITVPZPIQGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN/c1-4-23(27(19(2)3)18-21-8-6-5-7-9-21)15-12-20-10-13-22(14-11-20)24-16-17-25(24)26/h5-11,13-14,19,23-25H,4,12,15-18H2,1-3H3.
What are the key properties of N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine?
N-benzyl-1-[4-(2-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine has a molecular weight of 367.55 g/mol, XLogP of 6.52, 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-fluorocyclobutyl)phenyl]-N-propan-2-ylpentan-3-amine is sourced from PubChem (CID 70241233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).