2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine

C17H26FNO — CID 105374421

IUPAC2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cc(F)ccc2C)CCCC(C)C1
InChIInChI=1S/C17H26FNO/c1-12-5-4-8-17(11-12,20-3)16(19)10-14-9-15(18)7-6-13(14)2/h6-7,9,12,16H,4-5,8,10-11,19H2,1-3H3
InChIKeySNNLIEUPJBTYML-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.60
Rot. Bonds4

About 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine

2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine (PubChem CID 105374421) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
PubChem CID105374421
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
SMILESCOC1(C(N)Cc2cc(F)ccc2C)CCCC(C)C1
InChIInChI=1S/C17H26FNO/c1-12-5-4-8-17(11-12,20-3)16(19)10-14-9-15(18)7-6-13(14)2/h6-7,9,12,16H,4-5,8,10-11,19H2,1-3H3
InChIKeySNNLIEUPJBTYML-UHFFFAOYSA-N
XLogP3.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
[2-(4-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethyl]hydrazine
CID 105277596
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
2-(3,5-dimethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767540
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanol
CID 105373589
2-(4-bromo-2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767463
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493
2-(3-bromo-2,6-difluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 106268671
2-(2-bromo-5-fluorophenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762549
2-(5-fluoro-2-methylphenyl)-1-(1-methoxycyclobutyl)-N-methylethanamine
CID 105374348
2-(2-chloro-4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanamine
CID 116714000
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine (CID 105374421) is 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine is COC1(C(N)Cc2cc(F)ccc2C)CCCC(C)C1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
The InChIKey is SNNLIEUPJBTYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-12-5-4-8-17(11-12,20-3)16(19)10-14-9-15(18)7-6-13(14)2/h6-7,9,12,16H,4-5,8,10-11,19H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine?
2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine has a molecular weight of 279.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 105374421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).