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

C13H21FN2O — CID 113447246

IUPAC1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccncc1F
InChIInChI=1S/C13H21FN2O/c1-3-7-16-13(5-4-9-17-2)11-6-8-15-10-12(11)14/h6,8,10,13,16H,3-5,7,9H2,1-2H3
InChIKeyTVQJYGMWMOXGSO-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.69
Rot. Bonds8

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

1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine (PubChem CID 113447246) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
PubChem CID113447246
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine
SMILESCCCNC(CCCOC)c1ccncc1F
InChIInChI=1S/C13H21FN2O/c1-3-7-16-13(5-4-9-17-2)11-6-8-15-10-12(11)14/h6,8,10,13,16H,3-5,7,9H2,1-2H3
InChIKeyTVQJYGMWMOXGSO-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-propyl-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-amine
CID 102708203
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-propylbutan-1-amine
CID 113447304
4-methoxy-N-propyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 65092172
1-(3-fluoro-4-pyridinyl)-3-methoxy-N-methylpropan-1-amine
CID 104738162
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270
N-ethyl-1-(3-ethyl-4-pyridinyl)-4-methoxybutan-1-amine
CID 114856842
1-(2-chloro-3-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054857
1-(2-chloro-5-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 105394999
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
[4-ethoxy-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105335371
5-methyl-1-(3-methyl-4-pyridinyl)-N-propylhexan-1-amine
CID 83161609
1-(3-chloro-4-fluorophenyl)-4-methoxy-N-propylbutan-1-amine
CID 115608743

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine (CID 113447246) is 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine is CCCNC(CCCOC)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine?
The InChIKey is TVQJYGMWMOXGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-3-7-16-13(5-4-9-17-2)11-6-8-15-10-12(11)14/h6,8,10,13,16H,3-5,7,9H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine?
1-(3-fluoro-4-pyridinyl)-4-methoxy-N-propylbutan-1-amine has a molecular weight of 240.32 g/mol, XLogP of 2.69, 8 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)-4-methoxy-N-propylbutan-1-amine is sourced from PubChem (CID 113447246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).