N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline

C16H24FNO — CID 114342567

IUPACN-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline
SMILESCC1(C)CCC(OCCNc2ccccc2F)CC1
InChIInChI=1S/C16H24FNO/c1-16(2)9-7-13(8-10-16)19-12-11-18-15-6-4-3-5-14(15)17/h3-6,13,18H,7-12H2,1-2H3
InChIKeyQQYHJPGGHLWELM-UHFFFAOYSA-N
MW265.37 g/mol
LogP4.22
Rot. Bonds5

About N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline

N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline (PubChem CID 114342567) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline
PubChem CID114342567
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC NameN-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline
SMILESCC1(C)CCC(OCCNc2ccccc2F)CC1
InChIInChI=1S/C16H24FNO/c1-16(2)9-7-13(8-10-16)19-12-11-18-15-6-4-3-5-14(15)17/h3-6,13,18H,7-12H2,1-2H3
InChIKeyQQYHJPGGHLWELM-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline (CID 114342567) is N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline is CC1(C)CCC(OCCNc2ccccc2F)CC1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline?
The InChIKey is QQYHJPGGHLWELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-16(2)9-7-13(8-10-16)19-12-11-18-15-6-4-3-5-14(15)17/h3-6,13,18H,7-12H2,1-2H3.
What are the key properties of N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline?
N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline has a molecular weight of 265.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexyl)oxyethyl]-2-fluoroaniline is sourced from PubChem (CID 114342567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).