N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine

C17H26FNO2 — CID 107696193

IUPACN-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCOC1CCCC(Oc2ccc(F)cc2CNC(C)C)C1
InChIInChI=1S/C17H26FNO2/c1-12(2)19-11-13-9-14(18)7-8-17(13)21-16-6-4-5-15(10-16)20-3/h7-9,12,15-16,19H,4-6,10-11H2,1-3H3
InChIKeyFQVDWCQCHXJKTO-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.66
Rot. Bonds6

About N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine (PubChem CID 107696193) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
PubChem CID107696193
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC NameN-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine
SMILESCOC1CCCC(Oc2ccc(F)cc2CNC(C)C)C1
InChIInChI=1S/C17H26FNO2/c1-12(2)19-11-13-9-14(18)7-8-17(13)21-16-6-4-5-15(10-16)20-3/h7-9,12,15-16,19H,4-6,10-11H2,1-3H3
InChIKeyFQVDWCQCHXJKTO-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]ethanamine
CID 113223119
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775
N-[[3-(3-methoxycyclohexyl)oxy-6-methyl-2-pyridinyl]methyl]propan-2-amine
CID 79158075
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
N-[[2-(3-methoxycyclohexyl)oxy-3-methylphenyl]methyl]propan-2-amine
CID 115954063
4-fluoro-2-[(1R,3R)-3-methoxycyclohexyl]oxy-1-nitrosobenzene
CID 118242707
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044
(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
CID 976640
N-[[5-fluoro-2-(4-methoxybutan-2-yloxy)phenyl]methyl]propan-2-amine
CID 107696080

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine (CID 107696193) is N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine is COC1CCCC(Oc2ccc(F)cc2CNC(C)C)C1.
What is the InChIKey of N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine?
The InChIKey is FQVDWCQCHXJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-12(2)19-11-13-9-14(18)7-8-17(13)21-16-6-4-5-15(10-16)20-3/h7-9,12,15-16,19H,4-6,10-11H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine has a molecular weight of 295.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 107696193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).