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

C14H20FNO — CID 64768691

IUPAC3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCCC(OCc2ccc(N)cc2F)C1
InChIInChI=1S/C14H20FNO/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(16)8-14(11)15/h5-6,8,10,13H,2-4,7,9,16H2,1H3
InChIKeyNXWVEJMAODSYPA-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.50
Rot. Bonds3

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

3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline (PubChem CID 64768691) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
PubChem CID64768691
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
SMILESCC1CCCC(OCc2ccc(N)cc2F)C1
InChIInChI=1S/C14H20FNO/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(16)8-14(11)15/h5-6,8,10,13H,2-4,7,9,16H2,1H3
InChIKeyNXWVEJMAODSYPA-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
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710
4-chloro-2-[(3-methylcyclohexyl)oxymethyl]aniline
CID 79582982
3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline
CID 64768102
3-[(4-bromo-2-fluorophenyl)methoxy]cyclohexan-1-amine
CID 79466114
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
4-[(3,5-dimethylcyclohexyl)oxymethyl]-3-(trifluoromethyl)aniline
CID 81118075
methyl 3-bromo-4-[(3-methylcyclohexyl)oxymethyl]benzoate
CID 102765436
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
[5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 62455722
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline?
The IUPAC name of 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline (CID 64768691) is 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline.
What is the SMILES notation for 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline?
The canonical SMILES for 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline is CC1CCCC(OCc2ccc(N)cc2F)C1.
What is the InChIKey of 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline?
The InChIKey is NXWVEJMAODSYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(16)8-14(11)15/h5-6,8,10,13H,2-4,7,9,16H2,1H3.
What are the key properties of 3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline?
3-fluoro-4-[(3-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-[(3-methylcyclohexyl)oxymethyl]aniline is sourced from PubChem (CID 64768691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).