N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

C13H21FN2O — CID 114035545

IUPACN-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1ncc(F)cc1CNC(C)(C)C
InChIInChI=1S/C13H21FN2O/c1-5-6-17-12-10(7-11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyCTBSNUUMCHPIHX-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.90
Rot. Bonds5

About N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 114035545) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID114035545
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC NameN-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1ncc(F)cc1CNC(C)(C)C
InChIInChI=1S/C13H21FN2O/c1-5-6-17-12-10(7-11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3
InChIKeyCTBSNUUMCHPIHX-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62291381
N-[[5-fluoro-2-(4-methylpentoxy)-3-pyridinyl]methyl]ethanamine
CID 114035538
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
2-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]isoindole-1,3-dione
CID 175364856
1-[5-fluoro-2-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]-N-methylmethanamine
CID 114035761
1-(5-bromo-2-propoxy-3-pyridinyl)-N-methylmethanamine
CID 62291153
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[[5-fluoro-2-(2-methylpropoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 114035526
N-[[2-(3-ethoxypropoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696639
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (CID 114035545) is N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is CCCOc1ncc(F)cc1CNC(C)(C)C.
What is the InChIKey of N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is CTBSNUUMCHPIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-5-6-17-12-10(7-11(14)9-15-12)8-16-13(2,3)4/h7,9,16H,5-6,8H2,1-4H3.
What are the key properties of N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 240.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-propoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114035545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).