N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine

C15H26FN3O — CID 105389291

IUPACN-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC)C(C)COC)c1F
InChIInChI=1S/C15H26FN3O/c1-5-8-17-10-13-7-9-18-15(14(13)16)19(6-2)12(3)11-20-4/h7,9,12,17H,5-6,8,10-11H2,1-4H3
InChIKeyMEDIXSZTLGQDNY-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.58
Rot. Bonds9

About N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine

N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 105389291) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
PubChem CID105389291
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC NameN-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCNCc1ccnc(N(CC)C(C)COC)c1F
InChIInChI=1S/C15H26FN3O/c1-5-8-17-10-13-7-9-18-15(14(13)16)19(6-2)12(3)11-20-4/h7,9,12,17H,5-6,8,10-11H2,1-4H3
InChIKeyMEDIXSZTLGQDNY-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-propan-2-yl-4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389253
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
3-fluoro-N-methyl-4-(propylaminomethyl)-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 105389308
N-[[3-fluoro-2-(2-propoxyethoxy)-4-pyridinyl]methyl]propan-1-amine
CID 105391480
N-[[2-(2-ethoxyethoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105390809
N-[[3-fluoro-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 106597720
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476
N-[[3-fluoro-2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]propan-1-amine
CID 105390919
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105389566
N-[[3-fluoro-2-(1-methoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391503
3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
CID 62282843

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine (CID 105389291) is N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine is CCCNCc1ccnc(N(CC)C(C)COC)c1F.
What is the InChIKey of N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is MEDIXSZTLGQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c1-5-8-17-10-13-7-9-18-15(14(13)16)19(6-2)12(3)11-20-4/h7,9,12,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine?
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 283.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 105389291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).