1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine

C17H21FN2O — CID 105391129

IUPAC1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2ccc(C(C)C)c(C)c2)c1F
InChIInChI=1S/C17H21FN2O/c1-11(2)15-6-5-14(9-12(15)3)21-17-16(18)13(10-19-4)7-8-20-17/h5-9,11,19H,10H2,1-4H3
InChIKeyLLQQEJYYAIXJGJ-UHFFFAOYSA-N
MW288.37 g/mol
LogP4.16
Rot. Bonds5

About 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine

1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 105391129) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID105391129
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1ccnc(Oc2ccc(C(C)C)c(C)c2)c1F
InChIInChI=1S/C17H21FN2O/c1-11(2)15-6-5-14(9-12(15)3)21-17-16(18)13(10-19-4)7-8-20-17/h5-9,11,19H,10H2,1-4H3
InChIKeyLLQQEJYYAIXJGJ-UHFFFAOYSA-N
XLogP4.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-dimethoxyphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391016
N-[[2-(3,4-dimethylphenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391166
N-methyl-1-[4-(3-methyl-4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 81250777
1-[2-(4-bromo-2-methylphenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391454
N-[[3-fluoro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105391187
4-(chloromethyl)-3-fluoro-2-(4-fluoro-3-methylphenoxy)pyridine
CID 105383893
N-[[3-fluoro-2-(4-propan-2-ylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391100
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
4-(chloromethyl)-3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)pyridine
CID 105383793
[3-fluoro-2-(5-methyl-2-propan-2-ylphenoxy)-4-pyridinyl]methanol
CID 105383255
1-(3-fluoro-2-propoxy-4-pyridinyl)-N-methylmethanamine
CID 105390997

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 105391129) is 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine is CNCc1ccnc(Oc2ccc(C(C)C)c(C)c2)c1F.
What is the InChIKey of 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is LLQQEJYYAIXJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11(2)15-6-5-14(9-12(15)3)21-17-16(18)13(10-19-4)7-8-20-17/h5-9,11,19H,10H2,1-4H3.
What are the key properties of 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine has a molecular weight of 288.37 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 105391129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).