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

C23H30FN — CID 70241767

IUPACN-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine
SMILESCCN(CCCc1ccc(C2CCC(F)C2)cc1)Cc1ccccc1
InChIInChI=1S/C23H30FN/c1-2-25(18-20-7-4-3-5-8-20)16-6-9-19-10-12-21(13-11-19)22-14-15-23(24)17-22/h3-5,7-8,10-13,22-23H,2,6,9,14-18H2,1H3
InChIKeyHKKVBHRPCCIYDZ-UHFFFAOYSA-N
MW339.50 g/mol
LogP5.75
Rot. Bonds8

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

N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine (PubChem CID 70241767) has the molecular formula C23H30FN and a molecular weight of 339.50 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine
PubChem CID70241767
Molecular FormulaC23H30FN
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC NameN-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine
SMILESCCN(CCCc1ccc(C2CCC(F)C2)cc1)Cc1ccccc1
InChIInChI=1S/C23H30FN/c1-2-25(18-20-7-4-3-5-8-20)16-6-9-19-10-12-21(13-11-19)22-14-15-23(24)17-22/h3-5,7-8,10-13,22-23H,2,6,9,14-18H2,1H3
InChIKeyHKKVBHRPCCIYDZ-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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine?
The IUPAC name of N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine (CID 70241767) is N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine.
What is the SMILES notation for N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine?
The canonical SMILES for N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine is CCN(CCCc1ccc(C2CCC(F)C2)cc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine?
The InChIKey is HKKVBHRPCCIYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN/c1-2-25(18-20-7-4-3-5-8-20)16-6-9-19-10-12-21(13-11-19)22-14-15-23(24)17-22/h3-5,7-8,10-13,22-23H,2,6,9,14-18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-3-[4-(3-fluorocyclopentyl)phenyl]propan-1-amine?
N-benzyl-N-ethyl-3-[4-(3-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-(3-fluorocyclopentyl)phenyl]propan-1-amine is sourced from PubChem (CID 70241767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).