1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine

C12H19FN2O — CID 105181877

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1ccncc1F
InChIInChI=1S/C12H19FN2O/c1-3-7-16-8-5-12(14-2)10-4-6-15-9-11(10)13/h4,6,9,12,14H,3,5,7-8H2,1-2H3
InChIKeySRDGXAPNOGRDQE-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.30
Rot. Bonds7

About 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine

1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine (PubChem CID 105181877) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine
PubChem CID105181877
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine
SMILESCCCOCCC(NC)c1ccncc1F
InChIInChI=1S/C12H19FN2O/c1-3-7-16-8-5-12(14-2)10-4-6-15-9-11(10)13/h4,6,9,12,14H,3,5,7-8H2,1-2H3
InChIKeySRDGXAPNOGRDQE-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-pyridinyl)-3-methoxy-N-methylpropan-1-amine
CID 104738162
[1-(3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930056
1-(3-fluoro-4-pyridinyl)-N-methyl-2-propylsulfanylethanamine
CID 104738272
[4-ethoxy-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105335371
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
CID 113447246
3-butoxy-N-methyl-1-pyridin-4-ylpropan-1-amine
CID 115001497
1-(2,5-dimethylphenyl)-N-methyl-3-propoxypropan-1-amine
CID 105120142
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
1-(3,5-difluorophenyl)-N-methyl-3-propoxypropan-1-amine
CID 105141977
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
1-(3-chloro-4-pyridinyl)-N-methylpentan-1-amine
CID 105125649
3-ethoxy-N-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 105146480

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine (CID 105181877) is 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine is CCCOCCC(NC)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine?
The InChIKey is SRDGXAPNOGRDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-3-7-16-8-5-12(14-2)10-4-6-15-9-11(10)13/h4,6,9,12,14H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine?
1-(3-fluoro-4-pyridinyl)-N-methyl-3-propoxypropan-1-amine has a molecular weight of 226.29 g/mol, XLogP of 2.30, 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)-N-methyl-3-propoxypropan-1-amine is sourced from PubChem (CID 105181877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).