N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine

C17H21FN2O — CID 79706480

IUPACN-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2ccc(F)cn2)cc1
InChIInChI=1S/C17H21FN2O/c1-3-11-21-15-8-5-13(6-9-15)17(19-4-2)16-10-7-14(18)12-20-16/h5-10,12,17,19H,3-4,11H2,1-2H3
InChIKeyDXYYOZKUCUWFEE-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.71
Rot. Bonds7

About N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine

N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine (PubChem CID 79706480) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
PubChem CID79706480
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccc(C(NCC)c2ccc(F)cn2)cc1
InChIInChI=1S/C17H21FN2O/c1-3-11-21-15-8-5-13(6-9-15)17(19-4-2)16-10-7-14(18)12-20-16/h5-10,12,17,19H,3-4,11H2,1-2H3
InChIKeyDXYYOZKUCUWFEE-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]hydrazine
CID 105248508
N-[(4-fluorophenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79712293
N-[1-(5-fluoro-2-pyridinyl)ethyl]-4-propoxyaniline
CID 83118967
N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722905
N-[(5-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]ethanamine
CID 79712572
N-[(3,4-dichlorophenyl)-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 79713087
N-[(5-methyl-3-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine
CID 105144285
N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144208
N-[(5-fluoro-2-pyridinyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79722906
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
N-[furan-2-yl-(4-propoxyphenyl)methyl]ethanamine
CID 62796998
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine (CID 79706480) is N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine is CCCOc1ccc(C(NCC)c2ccc(F)cn2)cc1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
The InChIKey is DXYYOZKUCUWFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-3-11-21-15-8-5-13(6-9-15)17(19-4-2)16-10-7-14(18)12-20-16/h5-10,12,17,19H,3-4,11H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine?
N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine has a molecular weight of 288.37 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)-(4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 79706480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).