1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine

C17H26FNO — CID 107457742

IUPAC1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCCC(OCc2cc(CNC)ccc2F)C1
InChIInChI=1S/C17H26FNO/c1-3-13-5-4-6-16(10-13)20-12-15-9-14(11-19-2)7-8-17(15)18/h7-9,13,16,19H,3-6,10-12H2,1-2H3
InChIKeyUKYFFAAEGIDGLX-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.03
Rot. Bonds6

About 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine

1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine (PubChem CID 107457742) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
PubChem CID107457742
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCCC(OCc2cc(CNC)ccc2F)C1
InChIInChI=1S/C17H26FNO/c1-3-13-5-4-6-16(10-13)20-12-15-9-14(11-19-2)7-8-17(15)18/h7-9,13,16,19H,3-6,10-12H2,1-2H3
InChIKeyUKYFFAAEGIDGLX-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 107457113
1-[3-(cyclohexylmethoxymethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107457623
5-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarbothioamide
CID 107879915
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457974
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453653
1-bromo-3-[(3-ethylcyclohexyl)oxymethyl]-5-fluorobenzene
CID 79701830
1-bromo-2-[(3-ethylcyclohexyl)oxymethyl]-4-methoxybenzene
CID 65326433
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 107454523
2-[(3-ethylcyclohexyl)oxymethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77034498
[4-[(3-ethylcyclohexyl)oxymethyl]-2-methoxyphenyl]methanamine
CID 106786351
1-[3-[(4-ethoxyphenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457271

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine (CID 107457742) is 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine is CCC1CCCC(OCc2cc(CNC)ccc2F)C1.
What is the InChIKey of 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine?
The InChIKey is UKYFFAAEGIDGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-13-5-4-6-16(10-13)20-12-15-9-14(11-19-2)7-8-17(15)18/h7-9,13,16,19H,3-6,10-12H2,1-2H3.
What are the key properties of 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine?
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107457742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).