N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine

C25H34FN — CID 70242088

IUPACN-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)C2)cc1
InChIInChI=1S/C25H34FN/c1-3-17-27(19-22-7-5-4-6-8-22)20(2)9-10-21-11-13-23(14-12-21)24-15-16-25(26)18-24/h4-8,11-14,20,24-25H,3,9-10,15-19H2,1-2H3
InChIKeyZQPPFGGCOXFIFZ-UHFFFAOYSA-N
MW367.55 g/mol
LogP6.53
Rot. Bonds9

About N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine

N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine (PubChem CID 70242088) has the molecular formula C25H34FN and a molecular weight of 367.55 g/mol. Its IUPAC name is N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
PubChem CID70242088
Molecular FormulaC25H34FN
Molecular Weight367.55 g/mol
Exact Mass367.27
IUPAC NameN-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
SMILESCCCN(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)C2)cc1
InChIInChI=1S/C25H34FN/c1-3-17-27(19-22-7-5-4-6-8-22)20(2)9-10-21-11-13-23(14-12-21)24-15-16-25(26)18-24/h4-8,11-14,20,24-25H,3,9-10,15-19H2,1-2H3
InChIKeyZQPPFGGCOXFIFZ-UHFFFAOYSA-N
XLogP6.53
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 ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine with MolForge

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Related Compounds

acetonitrile;N-benzyl-4-[4-(3,4-difluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70243040
N-benzyl-4-[4-(2,3-difluorocyclobutyl)phenyl]-N-propylbutan-2-amine
CID 70238656
N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
CID 70243837
N-benzyl-4-[4-(4-fluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70242616
N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine
CID 70241767
N-(2-phenylethyl)-N-propyl-4-[4-[4-(trifluoromethyl)cyclohexyl]phenyl]butan-2-amine
CID 70243226
N-benzyl-4-[4-(3,4-difluorocyclohexyl)phenyl]-N-propan-2-ylbutan-2-amine
CID 70238734
acetonitrile;N-benzyl-4-[4-(1-fluorocyclopropyl)phenyl]-N-propylbutan-2-amine
CID 70243718
N-benzyl-4-[3,4-bis(1-fluorocyclopropyl)phenyl]-N-propylbutan-2-amine
CID 70238723
acetonitrile;4-[4-(3,4-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70242785
acetonitrile;N-benzyl-N-methyl-4-[4-[3-(trifluoromethyl)cyclopentyl]phenyl]butan-2-amine
CID 70244167
acetonitrile;N-(2-phenylethyl)-N-propyl-4-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]butan-2-amine
CID 70243107

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine?
The IUPAC name of N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine (CID 70242088) is N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine.
What is the SMILES notation for N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine?
The canonical SMILES for N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine is CCCN(Cc1ccccc1)C(C)CCc1ccc(C2CCC(F)C2)cc1.
What is the InChIKey of N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine?
The InChIKey is ZQPPFGGCOXFIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN/c1-3-17-27(19-22-7-5-4-6-8-22)20(2)9-10-21-11-13-23(14-12-21)24-15-16-25(26)18-24/h4-8,11-14,20,24-25H,3,9-10,15-19H2,1-2H3.
What are the key properties of N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine?
N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine has a molecular weight of 367.55 g/mol, XLogP of 6.53, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine is sourced from PubChem (CID 70242088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).