4-[fluoro(phenyl)methyl]azepane

C13H18FN — CID 84722518

IUPAC4-[fluoro(phenyl)methyl]azepane
SMILESFC(c1ccccc1)C1CCCNCC1
InChIInChI=1S/C13H18FN/c14-13(11-5-2-1-3-6-11)12-7-4-9-15-10-8-12/h1-3,5-6,12-13,15H,4,7-10H2
InChIKeyMJRMIKGZORQBOA-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.09
Rot. Bonds2

About 4-[fluoro(phenyl)methyl]azepane

4-[fluoro(phenyl)methyl]azepane (PubChem CID 84722518) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 4-[fluoro(phenyl)methyl]azepane.

Molecular Properties

Compound Name4-[fluoro(phenyl)methyl]azepane
PubChem CID84722518
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name4-[fluoro(phenyl)methyl]azepane
SMILESFC(c1ccccc1)C1CCCNCC1
InChIInChI=1S/C13H18FN/c14-13(11-5-2-1-3-6-11)12-7-4-9-15-10-8-12/h1-3,5-6,12-13,15H,4,7-10H2
InChIKeyMJRMIKGZORQBOA-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[fluoro(phenyl)methyl]azepane with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-chlorophenyl)-fluoromethyl]azepane
CID 84728201
4-[(4-bromophenyl)-fluoromethyl]piperidine
CID 84730148
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
4-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine
CID 139510512
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
2-phenyl-2-piperidin-4-ylethanamine;hydrochloride
CID 67691179
4-[fluoro-(3-propylphenyl)methyl]piperidine
CID 116546553
5-[fluoro(piperidin-4-yl)methyl]pyrimidine
CID 112563760
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
4-[(3,4-dichlorophenyl)-fluoromethyl]piperidine
CID 112563633
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
4-(1-fluoroethyl)azepane
CID 105428868

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(phenyl)methyl]azepane?
The IUPAC name of 4-[fluoro(phenyl)methyl]azepane (CID 84722518) is 4-[fluoro(phenyl)methyl]azepane.
What is the SMILES notation for 4-[fluoro(phenyl)methyl]azepane?
The canonical SMILES for 4-[fluoro(phenyl)methyl]azepane is FC(c1ccccc1)C1CCCNCC1.
What is the InChIKey of 4-[fluoro(phenyl)methyl]azepane?
The InChIKey is MJRMIKGZORQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c14-13(11-5-2-1-3-6-11)12-7-4-9-15-10-8-12/h1-3,5-6,12-13,15H,4,7-10H2.
What are the key properties of 4-[fluoro(phenyl)methyl]azepane?
4-[fluoro(phenyl)methyl]azepane has a molecular weight of 207.29 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(phenyl)methyl]azepane is sourced from PubChem (CID 84722518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).