N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine

C9H13FN2O2 — CID 106197172

IUPACN-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine
SMILESCOC(CNc1ccnc(F)c1)OC
InChIInChI=1S/C9H13FN2O2/c1-13-9(14-2)6-12-7-3-4-11-8(10)5-7/h3-5,9H,6H2,1-2H3,(H,11,12)
InChIKeyNUOOLABKVPXXDP-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.25
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine

N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine (PubChem CID 106197172) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine
PubChem CID106197172
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC NameN-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine
SMILESCOC(CNc1ccnc(F)c1)OC
InChIInChI=1S/C9H13FN2O2/c1-13-9(14-2)6-12-7-3-4-11-8(10)5-7/h3-5,9H,6H2,1-2H3,(H,11,12)
InChIKeyNUOOLABKVPXXDP-UHFFFAOYSA-N
XLogP1.25
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine 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

2-fluoro-N-(2-phenylpropyl)pyridin-4-amine
CID 104592076
N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine
CID 106900550
N-(2,2-dimethoxyethyl)-6-(trifluoromethyl)pyridin-3-amine
CID 82811775
N-(2,2-dimethoxyethyl)-5-fluoropyrimidin-2-amine
CID 107389783
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
CID 55233867
4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149289
N-(2,2-dimethoxyethyl)-4-(fluoromethyl)-3-methoxyaniline
CID 131964339
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
CID 107364290
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
CID 106196676
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine (CID 106197172) is N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine is COC(CNc1ccnc(F)c1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine?
The InChIKey is NUOOLABKVPXXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-13-9(14-2)6-12-7-3-4-11-8(10)5-7/h3-5,9H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine?
N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine has a molecular weight of 200.21 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine is sourced from PubChem (CID 106197172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).