4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline

C14H20FNO — CID 43443885

IUPAC4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCC(OCc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H20FNO/c1-10-2-5-13(6-3-10)17-9-11-8-12(15)4-7-14(11)16/h4,7-8,10,13H,2-3,5-6,9,16H2,1H3
InChIKeyPCALIFSCVOPDKY-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.50
Rot. Bonds3

About 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline

4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline (PubChem CID 43443885) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
PubChem CID43443885
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCC(OCc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H20FNO/c1-10-2-5-13(6-3-10)17-9-11-8-12(15)4-7-14(11)16/h4,7-8,10,13H,2-3,5-6,9,16H2,1H3
InChIKeyPCALIFSCVOPDKY-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline 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

2-bromo-4-fluoro-1-[(4-methylcyclohexyl)oxymethyl]benzene
CID 63457702
4-fluoro-2-(octoxymethyl)aniline
CID 43382254
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
[2,3-difluoro-4-[(4-methylcyclohexyl)oxymethyl]phenyl]methyloxidanium
CID 142370670
4-fluoro-2-(methoxymethyl)aniline;hydrochloride
CID 75481190
4-fluoro-2-propylaniline
CID 23348947
2-chloro-5-[(4-methylcyclohexyl)oxymethyl]aniline
CID 43169048
4-fluoro-2-heptylaniline
CID 67191637
[4-[(2,5-difluorophenyl)methoxy]cyclohexyl]methanol
CID 106825197
4-[(2-chloro-4-fluorophenyl)methoxy]cyclohexan-1-amine
CID 62807216
3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 24692373
4-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)aniline
CID 43443892

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline?
The IUPAC name of 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline (CID 43443885) is 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline?
The canonical SMILES for 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline is CC1CCC(OCc2cc(F)ccc2N)CC1.
What is the InChIKey of 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline?
The InChIKey is PCALIFSCVOPDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-2-5-13(6-3-10)17-9-11-8-12(15)4-7-14(11)16/h4,7-8,10,13H,2-3,5-6,9,16H2,1H3.
What are the key properties of 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline?
4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline has a molecular weight of 237.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-methylcyclohexyl)oxymethyl]aniline is sourced from PubChem (CID 43443885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).