N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine

C18H20F2N2O2 — CID 25299461

IUPACN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
SMILESCc1ccc(Oc2ncccc2CNC2CCOCC2)c(F)c1F
InChIInChI=1S/C18H20F2N2O2/c1-12-4-5-15(17(20)16(12)19)24-18-13(3-2-8-21-18)11-22-14-6-9-23-10-7-14/h2-5,8,14,22H,6-7,9-11H2,1H3
InChIKeyQSAVKVAJXZJKOQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.73
Rot. Bonds5

About N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine

N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine (PubChem CID 25299461) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
PubChem CID25299461
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine
SMILESCc1ccc(Oc2ncccc2CNC2CCOCC2)c(F)c1F
InChIInChI=1S/C18H20F2N2O2/c1-12-4-5-15(17(20)16(12)19)24-18-13(3-2-8-21-18)11-22-14-6-9-23-10-7-14/h2-5,8,14,22H,6-7,9-11H2,1H3
InChIKeyQSAVKVAJXZJKOQ-UHFFFAOYSA-N
XLogP3.73
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
CID 42195086
1-[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanamine
CID 42197705
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
CID 29153314
N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597
N-[[2-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
2-acetamido-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-methylbutanamide
CID 45223637
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine
CID 29086962
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 116689944
4-chloro-N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56742548

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine?
The IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine (CID 25299461) is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine is Cc1ccc(Oc2ncccc2CNC2CCOCC2)c(F)c1F.
What is the InChIKey of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine?
The InChIKey is QSAVKVAJXZJKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12-4-5-15(17(20)16(12)19)24-18-13(3-2-8-21-18)11-22-14-6-9-23-10-7-14/h2-5,8,14,22H,6-7,9-11H2,1H3.
What are the key properties of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine?
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine has a molecular weight of 334.37 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]oxan-4-amine is sourced from PubChem (CID 25299461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).