N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine

C16H22FNO — CID 54917460

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESFc1ccc(C(NCCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C16H22FNO/c17-14-7-5-13(6-8-14)16(12-3-4-12)18-10-9-15-2-1-11-19-15/h5-8,12,15-16,18H,1-4,9-11H2
InChIKeyDVSKQWJKINQUMZ-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.44
Rot. Bonds6

About N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine

N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 54917460) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID54917460
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESFc1ccc(C(NCCC2CCCO2)C2CC2)cc1
InChIInChI=1S/C16H22FNO/c17-14-7-5-13(6-8-14)16(12-3-4-12)18-10-9-15-2-1-11-19-15/h5-8,12,15-16,18H,1-4,9-11H2
InChIKeyDVSKQWJKINQUMZ-UHFFFAOYSA-N
XLogP3.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine (CID 54917460) is N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine is Fc1ccc(C(NCCC2CCCO2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is DVSKQWJKINQUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c17-14-7-5-13(6-8-14)16(12-3-4-12)18-10-9-15-2-1-11-19-15/h5-8,12,15-16,18H,1-4,9-11H2.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 263.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 54917460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).