N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine

C23H30FN — CID 70244066

IUPACN-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine
SMILESCCN(CCCc1ccc(C2CCCC2F)cc1)Cc1ccccc1
InChIInChI=1S/C23H30FN/c1-2-25(18-20-8-4-3-5-9-20)17-7-10-19-13-15-21(16-14-19)22-11-6-12-23(22)24/h3-5,8-9,13-16,22-23H,2,6-7,10-12,17-18H2,1H3
InChIKeyLEQBUXNGDIJGIN-UHFFFAOYSA-N
MW339.50 g/mol
LogP5.75
Rot. Bonds8

About N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine

N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine (PubChem CID 70244066) has the molecular formula C23H30FN and a molecular weight of 339.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine
PubChem CID70244066
Molecular FormulaC23H30FN
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC NameN-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine
SMILESCCN(CCCc1ccc(C2CCCC2F)cc1)Cc1ccccc1
InChIInChI=1S/C23H30FN/c1-2-25(18-20-8-4-3-5-9-20)17-7-10-19-13-15-21(16-14-19)22-11-6-12-23(22)24/h3-5,8-9,13-16,22-23H,2,6-7,10-12,17-18H2,1H3
InChIKeyLEQBUXNGDIJGIN-UHFFFAOYSA-N
XLogP5.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-(2-phenylethyl)propan-1-amine
CID 70241559
N-benzyl-N-ethyl-3-[4-[2-(trifluoromethyl)cyclopropyl]phenyl]propan-1-amine
CID 70244102
N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine
CID 70241767
acetonitrile;N-benzyl-3-[4-(2-fluorocyclohexyl)phenyl]-N-methylpropan-1-amine
CID 70243217
N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
CID 70243837
N-benzyl-3-[4-(2-bromocyclobutyl)phenyl]-N-propylpropan-1-amine
CID 70241140
N-benzyl-3-[4-(2-chlorocyclopropyl)phenyl]-N-propylpropan-1-amine
CID 70243047
3-[4-(3,4-difluorocyclohexyl)phenyl]-N-ethyl-N-(2-phenylethyl)propan-1-amine
CID 70242028
acetonitrile;3-[4-(2,6-difluorocyclohexyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70243785
N-(2-phenylethyl)-N-propyl-3-[4-[2-(trifluoromethyl)cyclohexyl]phenyl]propan-1-amine
CID 70242553
acetonitrile;N-benzyl-1-[4-(2-fluorocyclopentyl)phenyl]-N-methylpentan-3-amine
CID 70244067
3-[4-(2,3-difluorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpropan-1-amine
CID 70242607

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine?
The IUPAC name of N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine (CID 70244066) is N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine is CCN(CCCc1ccc(C2CCCC2F)cc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine?
The InChIKey is LEQBUXNGDIJGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN/c1-2-25(18-20-8-4-3-5-9-20)17-7-10-19-13-15-21(16-14-19)22-11-6-12-23(22)24/h3-5,8-9,13-16,22-23H,2,6-7,10-12,17-18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine?
N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine has a molecular weight of 339.50 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-[4-(2-fluorocyclopentyl)phenyl]propan-1-amine is sourced from PubChem (CID 70244066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).