N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine

C17H20FNO2 — CID 43314159

IUPACN-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cccc(Oc2ccc(F)cc2CNC(C)C)c1
InChIInChI=1S/C17H20FNO2/c1-12(2)19-11-13-9-14(18)7-8-17(13)21-16-6-4-5-15(10-16)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyBMVGPXNIAJZHSN-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.12
Rot. Bonds6

About N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine

N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43314159) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
PubChem CID43314159
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cccc(Oc2ccc(F)cc2CNC(C)C)c1
InChIInChI=1S/C17H20FNO2/c1-12(2)19-11-13-9-14(18)7-8-17(13)21-16-6-4-5-15(10-16)20-3/h4-10,12,19H,11H2,1-3H3
InChIKeyBMVGPXNIAJZHSN-UHFFFAOYSA-N
XLogP4.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
1-[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 43589963
N-[[4-chloro-2-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855809
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43314145
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300

Frequently Asked Questions

What is the IUPAC name of N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine (CID 43314159) is N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine is COc1cccc(Oc2ccc(F)cc2CNC(C)C)c1.
What is the InChIKey of N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is BMVGPXNIAJZHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-12(2)19-11-13-9-14(18)7-8-17(13)21-16-6-4-5-15(10-16)20-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine?
N-[[5-fluoro-2-(3-methoxyphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 289.35 g/mol, XLogP of 4.12, 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-methoxyphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43314159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).