[1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine

C13H26FNO — CID 81105338

IUPAC[1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCCF)CC1
InChIInChI=1S/C13H26FNO/c1-11(2)12-4-6-13(10-15,7-5-12)16-9-3-8-14/h11-12H,3-10,15H2,1-2H3
InChIKeyATYAMMGYMWUWDU-UHFFFAOYSA-N
MW231.35 g/mol
LogP2.91
Rot. Bonds6

About [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine

[1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81105338) has the molecular formula C13H26FNO and a molecular weight of 231.35 g/mol. Its IUPAC name is [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81105338
Molecular FormulaC13H26FNO
Molecular Weight231.35 g/mol
Exact Mass231.20
IUPAC Name[1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCCCF)CC1
InChIInChI=1S/C13H26FNO/c1-11(2)12-4-6-13(10-15,7-5-12)16-9-3-8-14/h11-12H,3-10,15H2,1-2H3
InChIKeyATYAMMGYMWUWDU-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine 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 [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine (CID 81105338) is [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine is CC(C)C1CCC(CN)(OCCCF)CC1.
What is the InChIKey of [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is ATYAMMGYMWUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FNO/c1-11(2)12-4-6-13(10-15,7-5-12)16-9-3-8-14/h11-12H,3-10,15H2,1-2H3.
What are the key properties of [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine?
[1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 231.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81105338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).