3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine

C16H24FNO — CID 58027570

IUPAC3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine
SMILESNCCC(F)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H24FNO/c17-16(9-10-18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16H,1-3,5-6,9-10,12,18H2
InChIKeyZSLALLWDBVDRPC-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.01
Rot. Bonds6

About 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine

3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine (PubChem CID 58027570) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound Name3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine
PubChem CID58027570
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine
SMILESNCCC(F)c1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C16H24FNO/c17-16(9-10-18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16H,1-3,5-6,9-10,12,18H2
InChIKeyZSLALLWDBVDRPC-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine 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

Fluoxetine
CID 3386
Atomoxetine
CID 54841
Reconcile
CID 62857
Atomoxetine Hydrochloride
CID 54840
Norfluoxetine
CID 4541
Bifemelane
CID 2377
Seproxetine
CID 3058751
Emixustat
CID 25221720
(S)-Fluoxetine
CID 1548968
3-Methoxyphenethylamine
CID 74866
(R)-Norfluoxetine
CID 9797657
Fluoxetine Hydrochloride, (R)-
CID 9798284

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine?
The IUPAC name of 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine (CID 58027570) is 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine.
What is the SMILES notation for 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine?
The canonical SMILES for 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine is NCCC(F)c1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine?
The InChIKey is ZSLALLWDBVDRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c17-16(9-10-18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13/h4,7-8,11,13,16H,1-3,5-6,9-10,12,18H2.
What are the key properties of 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine?
3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethoxy)phenyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 58027570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).