N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine

C14H22FNO — CID 43286026

IUPACN-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1OCCC
InChIInChI=1S/C14H22FNO/c1-4-9-16-11(3)14-12(15)7-6-8-13(14)17-10-5-2/h6-8,11,16H,4-5,9-10H2,1-3H3
InChIKeyQNIOHFDVOMJNNM-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.68
Rot. Bonds7

About N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine

N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine (PubChem CID 43286026) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
PubChem CID43286026
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(F)cccc1OCCC
InChIInChI=1S/C14H22FNO/c1-4-9-16-11(3)14-12(15)7-6-8-13(14)17-10-5-2/h6-8,11,16H,4-5,9-10H2,1-3H3
InChIKeyQNIOHFDVOMJNNM-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788452
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
CID 116801654
N-[1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethyl]propan-1-amine
CID 43285022
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
1-[2-fluoro-6-(2-methylpentoxy)phenyl]-N-methylethanamine
CID 103283997
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine (CID 43286026) is N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine is CCCNC(C)c1c(F)cccc1OCCC.
What is the InChIKey of N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine?
The InChIKey is QNIOHFDVOMJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-9-16-11(3)14-12(15)7-6-8-13(14)17-10-5-2/h6-8,11,16H,4-5,9-10H2,1-3H3.
What are the key properties of N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine?
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43286026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).