1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine

C12H19FN2O — CID 75502451

IUPAC1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-9(2)16-5-4-15-10(3)11-6-12(13)8-14-7-11/h6-10,15H,4-5H2,1-3H3
InChIKeyQCSJEYCTWUKSBN-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.30
Rot. Bonds6

About 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine

1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 75502451) has the molecular formula C12H19FN2O and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID75502451
Molecular FormulaC12H19FN2O
Molecular Weight226.30 g/mol
Exact Mass226.15
IUPAC Name1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCNC(C)c1cncc(F)c1
InChIInChI=1S/C12H19FN2O/c1-9(2)16-5-4-15-10(3)11-6-12(13)8-14-7-11/h6-10,15H,4-5H2,1-3H3
InChIKeyQCSJEYCTWUKSBN-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-1-(5-fluoro-3-pyridinyl)ethanamine
CID 102978048
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-methoxybutan-1-amine
CID 115709749
3-ethoxy-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-1-amine
CID 115704269
N-[1-(5-fluoro-3-pyridinyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103780380
N-[1-(5-fluoro-3-pyridinyl)ethyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103780222
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2-dimethylpropan-1-amine
CID 103779066
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115721383
5-[1-(5-fluoro-3-pyridinyl)ethylamino]pentanenitrile
CID 115716617
1-(5-fluoro-3-pyridinyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]ethanamine
CID 84587895
N-[1-(5-fluoro-3-pyridinyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 115721045
1-(5-fluoro-3-pyridinyl)-N-[(1-methoxycyclobutyl)methyl]ethanamine
CID 113364614
2-[[1-(5-fluoro-3-pyridinyl)ethylamino]methyl]phenol
CID 103780351

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine (CID 75502451) is 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCNC(C)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is QCSJEYCTWUKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-9(2)16-5-4-15-10(3)11-6-12(13)8-14-7-11/h6-10,15H,4-5H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine?
1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 226.30 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 75502451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).