(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine

C16H23F2NO — CID 116768109

IUPAC(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)c2ccc(F)cc2F)CCCC(C)C1
InChIInChI=1S/C16H23F2NO/c1-3-20-16(8-4-5-11(2)10-16)15(19)13-7-6-12(17)9-14(13)18/h6-7,9,11,15H,3-5,8,10,19H2,1-2H3
InChIKeyMJOZMLCCDYVBPY-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.95
Rot. Bonds4

About (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine

(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine (PubChem CID 116768109) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
PubChem CID116768109
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)c2ccc(F)cc2F)CCCC(C)C1
InChIInChI=1S/C16H23F2NO/c1-3-20-16(8-4-5-11(2)10-16)15(19)13-7-6-12(17)9-14(13)18/h6-7,9,11,15H,3-5,8,10,19H2,1-2H3
InChIKeyMJOZMLCCDYVBPY-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103395911
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
CID 116768147
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 105374421

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine (CID 116768109) is (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine is CCOC1(C(N)c2ccc(F)cc2F)CCCC(C)C1.
What is the InChIKey of (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine?
The InChIKey is MJOZMLCCDYVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-3-20-16(8-4-5-11(2)10-16)15(19)13-7-6-12(17)9-14(13)18/h6-7,9,11,15H,3-5,8,10,19H2,1-2H3.
What are the key properties of (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine?
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine has a molecular weight of 283.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine is sourced from PubChem (CID 116768109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).