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

C14H20FNO — CID 64768102

IUPAC3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCCCC1OCc1ccc(N)cc1F
InChIInChI=1S/C14H20FNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(16)8-13(11)15/h6-8,10,14H,2-5,9,16H2,1H3
InChIKeyMKNUUQJDXCASEL-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.50
Rot. Bonds3

About 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline

3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline (PubChem CID 64768102) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline
PubChem CID64768102
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCCCC1OCc1ccc(N)cc1F
InChIInChI=1S/C14H20FNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(16)8-13(11)15/h6-8,10,14H,2-5,9,16H2,1H3
InChIKeyMKNUUQJDXCASEL-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'}

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Related Compounds

4-(cyclobutyloxymethyl)-3-fluoroaniline
CID 64768897
5-chloro-2-[(2-methylcyclohexyl)oxymethyl]aniline
CID 55037355
3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
CID 64768691
3-fluoro-4-(2-methylcyclohexyl)oxyaniline
CID 43123610
5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarbothioamide
CID 63293075
[2-[(2-fluoro-4-methoxyphenyl)methoxy]cyclohexyl]methanamine
CID 102877277
3-bromo-4-[(2-methylcyclohexyl)oxymethyl]benzoic acid
CID 102765387
4-(2-cyclopropylethoxymethyl)-3-fluoroaniline
CID 106199901
4-[(2-ethylcyclohexyl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81117330
N'-hydroxy-3-methyl-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 114483225
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
3-chloro-4-[(2-methylcyclohexyl)oxymethyl]benzonitrile
CID 102665812

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline?
The IUPAC name of 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline (CID 64768102) is 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline.
What is the SMILES notation for 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline?
The canonical SMILES for 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline is CC1CCCCC1OCc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline?
The InChIKey is MKNUUQJDXCASEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(16)8-13(11)15/h6-8,10,14H,2-5,9,16H2,1H3.
What are the key properties of 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline?
3-fluoro-4-[(2-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 3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline is sourced from PubChem (CID 64768102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).