N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H18ClFN2O — CID 116689541

IUPACN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2cccc(Cl)c2F)nc1
InChIInChI=1S/C16H18ClFN2O/c1-16(2,3)20-10-11-7-8-14(19-9-11)21-13-6-4-5-12(17)15(13)18/h4-9,20H,10H2,1-3H3
InChIKeyPQBJJJRYXLTXRL-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.55
Rot. Bonds4

About N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 116689541) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID116689541
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(Oc2cccc(Cl)c2F)nc1
InChIInChI=1S/C16H18ClFN2O/c1-16(2,3)20-10-11-7-8-14(19-9-11)21-13-6-4-5-12(17)15(13)18/h4-9,20H,10H2,1-3H3
InChIKeyPQBJJJRYXLTXRL-UHFFFAOYSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116690064
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 64853702
N-tert-butyl-3-(3-chloro-2-fluorophenoxy)-2,2-dimethylpropan-1-amine
CID 116690237
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63216590
N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 116689984
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 116689541) is N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(Oc2cccc(Cl)c2F)nc1.
What is the InChIKey of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PQBJJJRYXLTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-16(2,3)20-10-11-7-8-14(19-9-11)21-13-6-4-5-12(17)15(13)18/h4-9,20H,10H2,1-3H3.
What are the key properties of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 308.78 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 116689541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).