1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine

C16H24FNO — CID 116763933

IUPAC1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(F)c2)CCCCC1
InChIInChI=1S/C16H24FNO/c1-3-19-16(10-5-4-6-11-16)15(18-2)13-8-7-9-14(17)12-13/h7-9,12,15,18H,3-6,10-11H2,1-2H3
InChIKeyQJLXYQMGPDAZHR-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.83
Rot. Bonds5

About 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine

1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine (PubChem CID 116763933) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
PubChem CID116763933
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(F)c2)CCCCC1
InChIInChI=1S/C16H24FNO/c1-3-19-16(10-5-4-6-11-16)15(18-2)13-8-7-9-14(17)12-13/h7-9,12,15,18H,3-6,10-11H2,1-2H3
InChIKeyQJLXYQMGPDAZHR-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 114604846
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
1-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066068
1-(1-ethoxycycloheptyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 116770913
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(3-bromo-2-fluorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 106646181

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine (CID 116763933) is 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(F)c2)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine?
The InChIKey is QJLXYQMGPDAZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-3-19-16(10-5-4-6-11-16)15(18-2)13-8-7-9-14(17)12-13/h7-9,12,15,18H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine?
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 116763933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).