1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol

C15H16F2N2O2 — CID 142781414

IUPAC1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol
SMILESCOc1ccc(CNc2cc(C(C)O)c(F)c(F)n2)cc1
InChIInChI=1S/C15H16F2N2O2/c1-9(20)12-7-13(19-15(17)14(12)16)18-8-10-3-5-11(21-2)6-4-10/h3-7,9,20H,8H2,1-2H3,(H,18,19)
InChIKeyWEWLLAVJNLDBIT-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.03
Rot. Bonds5

About 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol

1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol (PubChem CID 142781414) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol
PubChem CID142781414
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol
SMILESCOc1ccc(CNc2cc(C(C)O)c(F)c(F)n2)cc1
InChIInChI=1S/C15H16F2N2O2/c1-9(20)12-7-13(19-15(17)14(12)16)18-8-10-3-5-11(21-2)6-4-10/h3-7,9,20H,8H2,1-2H3,(H,18,19)
InChIKeyWEWLLAVJNLDBIT-UHFFFAOYSA-N
XLogP3.03
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-methylpropyl)pyrimidin-4-amine
CID 82463263
5-N-[(4-fluorophenyl)methyl]-3-N-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949865
6-chloro-2-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118937016
6-chloro-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767088
3,4,5-trifluoro-N-[(4-methoxyphenyl)methyl]aniline
CID 62809233
[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 129172188
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
4-N-[(4-methoxyphenyl)methyl]-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932810
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]methanol
CID 123677677
N-[(4-methoxyphenyl)methyl]-5-propan-2-ylpyridin-2-amine
CID 118954417

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol?
The IUPAC name of 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol (CID 142781414) is 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol.
What is the SMILES notation for 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol?
The canonical SMILES for 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol is COc1ccc(CNc2cc(C(C)O)c(F)c(F)n2)cc1.
What is the InChIKey of 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol?
The InChIKey is WEWLLAVJNLDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-9(20)12-7-13(19-15(17)14(12)16)18-8-10-3-5-11(21-2)6-4-10/h3-7,9,20H,8H2,1-2H3,(H,18,19).
What are the key properties of 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol?
1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol has a molecular weight of 294.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-difluoro-6-[(4-methoxyphenyl)methylamino]-4-pyridinyl]ethanol is sourced from PubChem (CID 142781414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).