2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline

C14H20FNO2 — CID 63599846

IUPAC2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(OCC2CCCCC2)c(N)cc1F
InChIInChI=1S/C14H20FNO2/c1-17-13-8-14(12(16)7-11(13)15)18-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9,16H2,1H3
InChIKeyQPHAAYSMZQUQEI-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.38
Rot. Bonds4

About 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline

2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline (PubChem CID 63599846) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline
PubChem CID63599846
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(OCC2CCCCC2)c(N)cc1F
InChIInChI=1S/C14H20FNO2/c1-17-13-8-14(12(16)7-11(13)15)18-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9,16H2,1H3
InChIKeyQPHAAYSMZQUQEI-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599683
2-(cyclohexylmethoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 63594077
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
4-ethoxy-5-fluoro-2-(oxan-2-ylmethoxy)aniline
CID 55216471
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
(1S)-1-[4-(cyclopentylmethoxy)-3-fluorophenyl]ethanamine
CID 79034595
4-(difluoromethoxy)-5-fluoro-2-(oxan-4-ylmethoxy)aniline
CID 63594226
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66322144
[3-(cyclohexylmethoxy)-4-methoxyphenyl]methanamine
CID 43122515
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
4-(cyclohexylmethoxy)-3-fluorobenzenesulfonamide
CID 43164449

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline (CID 63599846) is 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline is COc1cc(OCC2CCCCC2)c(N)cc1F.
What is the InChIKey of 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline?
The InChIKey is QPHAAYSMZQUQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-17-13-8-14(12(16)7-11(13)15)18-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9,16H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline?
2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline has a molecular weight of 253.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63599846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).