N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine

C17H20F2N2O — CID 97216355

IUPACN-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2O/c1-3-22-10-9-21(2)17(13-5-4-8-20-12-13)15-7-6-14(18)11-16(15)19/h4-8,11-12,17H,3,9-10H2,1-2H3/t17-/m0/s1
InChIKeyFBYLTFLUZAXYRQ-KRWDZBQOSA-N
MW306.36 g/mol
LogP3.42
Rot. Bonds7

About N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine

N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine (PubChem CID 97216355) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine
PubChem CID97216355
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC NameN-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C17H20F2N2O/c1-3-22-10-9-21(2)17(13-5-4-8-20-12-13)15-7-6-14(18)11-16(15)19/h4-8,11-12,17H,3,9-10H2,1-2H3/t17-/m0/s1
InChIKeyFBYLTFLUZAXYRQ-KRWDZBQOSA-N
XLogP3.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine 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-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-ethylfuran-2-carboxamide
CID 124559510
(1R,5R)-N-[(R)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 100900528
1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
CID 115608674
1-N-(2-ethoxyethyl)-1-(4-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 81052895
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
CID 81404326
3-(3-fluorophenyl)-N-[(4-fluorophenyl)-pyridin-3-ylmethyl]-N-propylpropanamide
CID 86935664
1-(4-bromo-2-fluorophenyl)-N-(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 81059193
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
1-(2,5-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521825
N-methyl-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 143947974
N-[1-(2,4-difluorophenyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 62802705

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine (CID 97216355) is N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine?
The InChIKey is FBYLTFLUZAXYRQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-3-22-10-9-21(2)17(13-5-4-8-20-12-13)15-7-6-14(18)11-16(15)19/h4-8,11-12,17H,3,9-10H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine?
N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine has a molecular weight of 306.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2,4-difluorophenyl)-pyridin-3-ylmethyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 97216355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).