N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine

C17H21FN2O — CID 105390852

IUPACN-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(OC(C)c2ccccc2)c1F
InChIInChI=1S/C17H21FN2O/c1-12(2)20-11-15-9-10-19-17(16(15)18)21-13(3)14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3
InChIKeyLFVQOELKXUOISO-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.86
Rot. Bonds6

About N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine

N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105390852) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
PubChem CID105390852
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccnc(OC(C)c2ccccc2)c1F
InChIInChI=1S/C17H21FN2O/c1-12(2)20-11-15-9-10-19-17(16(15)18)21-13(3)14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3
InChIKeyLFVQOELKXUOISO-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxy-3-fluoro-4-pyridinyl)methyl]propan-2-amine
CID 105390794
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
N-[(3-fluoro-2-heptoxy-4-pyridinyl)methyl]propan-2-amine
CID 105390901
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
3-[[3-fluoro-4-[(propan-2-ylamino)methyl]-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 105391234
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391560
N-[[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methyl]propan-2-amine
CID 103180864
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291948
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
N-[(2-cyclobutyloxy-3-fluoro-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 105390709

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine (CID 105390852) is N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccnc(OC(C)c2ccccc2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is LFVQOELKXUOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(2)20-11-15-9-10-19-17(16(15)18)21-13(3)14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine?
N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(1-phenylethoxy)-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105390852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).