3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline

C14H14F2N2O2 — CID 43731334

IUPAC3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccncc2)cc1OC(F)F
InChIInChI=1S/C14H14F2N2O2/c1-19-12-3-2-11(8-13(12)20-14(15)16)18-9-10-4-6-17-7-5-10/h2-8,14,18H,9H2,1H3
InChIKeyMRLYNTADKQEXRV-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.30
Rot. Bonds6

About 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline

3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline (PubChem CID 43731334) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
PubChem CID43731334
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccncc2)cc1OC(F)F
InChIInChI=1S/C14H14F2N2O2/c1-19-12-3-2-11(8-13(12)20-14(15)16)18-9-10-4-6-17-7-5-10/h2-8,14,18H,9H2,1H3
InChIKeyMRLYNTADKQEXRV-UHFFFAOYSA-N
XLogP3.30
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 43731316
3-chloro-4-(difluoromethoxy)-N-(pyridin-4-ylmethyl)aniline
CID 28622662
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylaniline
CID 78851352
3-(difluoromethoxy)-4-methoxy-N-(2-methylbutyl)aniline
CID 43731307
2-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]acetamide
CID 43712827
3-chloro-4-propan-2-yloxy-N-(pyridin-4-ylmethyl)aniline
CID 43727132
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-(difluoromethoxy)-4-methoxyaniline
CID 102833403
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 46450594
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
N'-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 86995659
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919972

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline (CID 43731334) is 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline is COc1ccc(NCc2ccncc2)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is MRLYNTADKQEXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-19-12-3-2-11(8-13(12)20-14(15)16)18-9-10-4-6-17-7-5-10/h2-8,14,18H,9H2,1H3.
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline?
3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 280.27 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 43731334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).