N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine

C12H19FN2O2 — CID 104738508

IUPACN-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)C(OC)OC
InChIInChI=1S/C12H19FN2O2/c1-4-6-15-11(12(16-2)17-3)9-5-7-14-8-10(9)13/h5,7-8,11-12,15H,4,6H2,1-3H3
InChIKeyYHYXTFIIAVDWDS-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.88
Rot. Bonds7

About N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine

N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine (PubChem CID 104738508) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
PubChem CID104738508
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC NameN-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
SMILESCCCNC(c1ccncc1F)C(OC)OC
InChIInChI=1S/C12H19FN2O2/c1-4-6-15-11(12(16-2)17-3)9-5-7-14-8-10(9)13/h5,7-8,11-12,15H,4,6H2,1-3H3
InChIKeyYHYXTFIIAVDWDS-UHFFFAOYSA-N
XLogP1.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312287
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[1-(2,5-difluorophenyl)-2,2-dimethoxyethyl]propan-1-amine
CID 79493374
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine (CID 104738508) is N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine is CCCNC(c1ccncc1F)C(OC)OC.
What is the InChIKey of N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine?
The InChIKey is YHYXTFIIAVDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-4-6-15-11(12(16-2)17-3)9-5-7-14-8-10(9)13/h5,7-8,11-12,15H,4,6H2,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine?
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine has a molecular weight of 242.29 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine is sourced from PubChem (CID 104738508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).