1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine

C13H21FN2O — CID 113447304

IUPAC1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CC(C)OC)c1ccncc1F
InChIInChI=1S/C13H21FN2O/c1-4-6-16-13(8-10(2)17-3)11-5-7-15-9-12(11)14/h5,7,9-10,13,16H,4,6,8H2,1-3H3
InChIKeyNUTFRDMEYRPJCQ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.69
Rot. Bonds7

About 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine

1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine (PubChem CID 113447304) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
PubChem CID113447304
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CC(C)OC)c1ccncc1F
InChIInChI=1S/C13H21FN2O/c1-4-6-16-13(8-10(2)17-3)11-5-7-15-9-12(11)14/h5,7,9-10,13,16H,4,6,8H2,1-3H3
InChIKeyNUTFRDMEYRPJCQ-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-methoxy-1-(propylamino)butyl]pyridin-4-amine
CID 113391490
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270
1-(3-fluoro-4-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 107129130
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[1-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877708
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine (CID 113447304) is 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine is CCCNC(CC(C)OC)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine?
The InChIKey is NUTFRDMEYRPJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-4-6-16-13(8-10(2)17-3)11-5-7-15-9-12(11)14/h5,7,9-10,13,16H,4,6,8H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine?
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine has a molecular weight of 240.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 113447304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).