N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine

C17H26FNO — CID 107457113

IUPACN-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COC2CCCC(C)C2)c1
InChIInChI=1S/C17H26FNO/c1-3-19-11-14-7-8-17(18)15(10-14)12-20-16-6-4-5-13(2)9-16/h7-8,10,13,16,19H,3-6,9,11-12H2,1-2H3
InChIKeyYMMXAURUEOTMQM-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.03
Rot. Bonds6

About N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine

N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine (PubChem CID 107457113) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
PubChem CID107457113
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC NameN-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(COC2CCCC(C)C2)c1
InChIInChI=1S/C17H26FNO/c1-3-19-11-14-7-8-17(18)15(10-14)12-20-16-6-4-5-13(2)9-16/h7-8,10,13,16,19H,3-6,9,11-12H2,1-2H3
InChIKeyYMMXAURUEOTMQM-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

Analyze N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine
CID 55077909
N-[[3-[(4,4-dimethylcyclohexyl)oxymethyl]-4-fluorophenyl]methyl]ethanamine
CID 107457974
1-[3-[(3-ethylcyclohexyl)oxymethyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457742
N-[[3-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methyl]ethanamine
CID 62456091
N-[[5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62456466
N-ethyl-2-[2-[(3-methylcyclohexyl)oxymethyl]phenyl]ethanamine
CID 115464650
3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
CID 64768691
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N-methylcycloheptanamine
CID 107454386
N-[[3-(butoxymethyl)-4-fluorophenyl]methyl]ethanamine
CID 107457168
N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 107453578
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine (CID 107457113) is N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine is CCNCc1ccc(F)c(COC2CCCC(C)C2)c1.
What is the InChIKey of N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
The InChIKey is YMMXAURUEOTMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-19-11-14-7-8-17(18)15(10-14)12-20-16-6-4-5-13(2)9-16/h7-8,10,13,16,19H,3-6,9,11-12H2,1-2H3.
What are the key properties of N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine?
N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine 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 N-[[4-fluoro-3-[(3-methylcyclohexyl)oxymethyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 107457113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).