N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine

C15H17FN2O — CID 62321474

IUPACN-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-11(2)18-10-12-6-7-17-15(8-12)19-14-5-3-4-13(16)9-14/h3-9,11,18H,10H2,1-2H3
InChIKeyFLRQTWXELVVHPV-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.51
Rot. Bonds5

About N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 62321474) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID62321474
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(Oc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-11(2)18-10-12-6-7-17-15(8-12)19-14-5-3-4-13(16)9-14/h3-9,11,18H,10H2,1-2H3
InChIKeyFLRQTWXELVVHPV-UHFFFAOYSA-N
XLogP3.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-propan-2-ylphenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62296745
N-[[2-[3-(methoxymethyl)phenoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63985993
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
N-[[5-chloro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 114928325
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[3-fluoro-4-(3-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283333
N-[[2-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 62288406
N-[[2-(1-methylpyrazol-4-yl)oxy-4-pyridinyl]methyl]propan-2-amine
CID 116793338
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[[3-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39372695
N-[[2-[(2-fluorophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
CID 63937965
N-[(3-pyrimidin-2-yloxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17213643

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine (CID 62321474) is N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(Oc2cccc(F)c2)c1.
What is the InChIKey of N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is FLRQTWXELVVHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(2)18-10-12-6-7-17-15(8-12)19-14-5-3-4-13(16)9-14/h3-9,11,18H,10H2,1-2H3.
What are the key properties of N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 260.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62321474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).