2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline

C14H14F2N2O — CID 81311383

IUPAC2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2OC(F)F)nc1
InChIInChI=1S/C14H14F2N2O/c1-10-6-7-11(17-8-10)9-18-12-4-2-3-5-13(12)19-14(15)16/h2-8,14,18H,9H2,1H3
InChIKeyUTGFISICSLGZNI-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.60
Rot. Bonds5

About 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline

2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline (PubChem CID 81311383) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
PubChem CID81311383
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCc1ccc(CNc2ccccc2OC(F)F)nc1
InChIInChI=1S/C14H14F2N2O/c1-10-6-7-11(17-8-10)9-18-12-4-2-3-5-13(12)19-14(15)16/h2-8,14,18H,9H2,1H3
InChIKeyUTGFISICSLGZNI-UHFFFAOYSA-N
XLogP3.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79782862
2-(difluoromethoxy)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82888104
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(difluoromethoxy)aniline
CID 115686029
2-(difluoromethoxy)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28623990
2-(difluoromethoxy)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741993
2-chloro-3-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 113344595
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
6-[(2-methoxyanilino)methyl]pyridin-3-amine
CID 105486827
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline (CID 81311383) is 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline is Cc1ccc(CNc2ccccc2OC(F)F)nc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is UTGFISICSLGZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-10-6-7-11(17-8-10)9-18-12-4-2-3-5-13(12)19-14(15)16/h2-8,14,18H,9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline?
2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline has a molecular weight of 264.28 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 81311383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).