3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline

C14H14F2N2O — CID 144783854

IUPAC3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
SMILESCc1ncccc1OCc1c(N)cccc1C(F)F
InChIInChI=1S/C14H14F2N2O/c1-9-13(6-3-7-18-9)19-8-11-10(14(15)16)4-2-5-12(11)17/h2-7,14H,8,17H2,1H3
InChIKeyTWZJUGLFKBMCSU-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.49
Rot. Bonds4

About 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline

3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline (PubChem CID 144783854) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline.

Molecular Properties

Compound Name3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
PubChem CID144783854
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
SMILESCc1ncccc1OCc1c(N)cccc1C(F)F
InChIInChI=1S/C14H14F2N2O/c1-9-13(6-3-7-18-9)19-8-11-10(14(15)16)4-2-5-12(11)17/h2-7,14H,8,17H2,1H3
InChIKeyTWZJUGLFKBMCSU-UHFFFAOYSA-N
XLogP3.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline 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

3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
2-[(2-methyl-3-pyridinyl)oxymethyl]-3-(trifluoromethoxy)benzoyl chloride
CID 144784380
N-[[2-amino-6-(difluoromethyl)phenyl]methoxy]propanamide
CID 130318592
3-fluoro-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783936
3-chloro-2-[(2-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 144784504
azane;2-methylpyridin-3-amine
CID 67996717
2-methylpyridin-3-amine;hydroiodide
CID 172837374
3-[(2-ethyl-6-nitrophenyl)methoxy]-2-methylpyridine
CID 144784299
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
[2-amino-6-(difluoromethyl)phenyl]methyl (Z)-N-ethyl-2-methylbut-2-enimidate
CID 134547923
3-(6-bromohexoxy)-2-methylpyridine
CID 145360692

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
The IUPAC name of 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline (CID 144783854) is 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline.
What is the SMILES notation for 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
The canonical SMILES for 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline is Cc1ncccc1OCc1c(N)cccc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
The InChIKey is TWZJUGLFKBMCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9-13(6-3-7-18-9)19-8-11-10(14(15)16)4-2-5-12(11)17/h2-7,14H,8,17H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline has a molecular weight of 264.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline is sourced from PubChem (CID 144783854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).