2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline

C15H22FNO2 — CID 114340502

IUPAC2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
SMILESCOc1cc(OC2CCC(C)(C)CC2)c(N)cc1F
InChIInChI=1S/C15H22FNO2/c1-15(2)6-4-10(5-7-15)19-14-9-13(18-3)11(16)8-12(14)17/h8-10H,4-7,17H2,1-3H3
InChIKeyDAIYOMTUHKEURD-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.76
Rot. Bonds3

About 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline

2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline (PubChem CID 114340502) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
PubChem CID114340502
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
SMILESCOc1cc(OC2CCC(C)(C)CC2)c(N)cc1F
InChIInChI=1S/C15H22FNO2/c1-15(2)6-4-10(5-7-15)19-14-9-13(18-3)11(16)8-12(14)17/h8-10H,4-7,17H2,1-3H3
InChIKeyDAIYOMTUHKEURD-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.76
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

4-bromo-2-(4,4-dimethylcyclohexyl)oxy-5-fluoroaniline
CID 114340413
2-(4,4-dimethylcyclohexyl)oxy-4-methoxyaniline
CID 114340540
2-cyclopentyloxy-4,5-dimethoxyaniline
CID 83008231
2-(cyclopropylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599683
2-(4,4-dimethylcyclohexyl)oxy-5-(trifluoromethyl)aniline
CID 114340421
4-(2,6-dimethyloxan-4-yl)oxy-5-fluoro-2-methoxyaniline
CID 107259948
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
2,5-difluoro-4-methoxyaniline
CID 45090681
4-fluoro-5-[4-(hydroxymethyl)-4-methylcyclohexyl]oxy-2-methoxybenzamide
CID 167110965
4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
CID 63592899
2-(cyclohexylmethoxy)-5-fluoro-4-methoxyaniline
CID 63599846
4,5-dimethoxy-2-(3,3,5-trimethylcyclohexyl)oxyaniline
CID 83005080

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline (CID 114340502) is 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline is COc1cc(OC2CCC(C)(C)CC2)c(N)cc1F.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline?
The InChIKey is DAIYOMTUHKEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(2)6-4-10(5-7-15)19-14-9-13(18-3)11(16)8-12(14)17/h8-10H,4-7,17H2,1-3H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline?
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline has a molecular weight of 267.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 114340502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).