N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

C17H26FNO2 — CID 107689221

IUPACN-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC2CCC(C)CC2)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-13-3-6-15(7-4-13)21-17-8-5-14(11-16(17)18)12-19-9-10-20-2/h5,8,11,13,15,19H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyBGUNPSZAGQFOBV-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.52
Rot. Bonds7

About N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine

N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (PubChem CID 107689221) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
PubChem CID107689221
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(OC2CCC(C)CC2)c(F)c1
InChIInChI=1S/C17H26FNO2/c1-13-3-6-15(7-4-13)21-17-8-5-14(11-16(17)18)12-19-9-10-20-2/h5,8,11,13,15,19H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyBGUNPSZAGQFOBV-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-4-(oxan-3-yloxy)phenyl]methyl]-2-methoxyethanamine
CID 107689071
N-[(4-cycloheptyloxy-3-fluorophenyl)methyl]ethanamine
CID 107687057
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
N-[(4-cyclopentyloxy-3-nitrophenyl)methyl]-2-methoxyethanamine
CID 63058395
N-[[4-(1,1-dioxothiolan-3-yl)oxy-3-fluorophenyl]methyl]propan-1-amine
CID 107687258
N-[[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689137
N-[(3-fluoro-4-pent-3-ynoxyphenyl)methyl]-2-methoxyethanamine
CID 107689325
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63807890
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
3-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 107689352

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine (CID 107689221) is N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(OC2CCC(C)CC2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
The InChIKey is BGUNPSZAGQFOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13-3-6-15(7-4-13)21-17-8-5-14(11-16(17)18)12-19-9-10-20-2/h5,8,11,13,15,19H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine?
N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine has a molecular weight of 295.40 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107689221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).