N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H18ClFN2O — CID 116689574

IUPACN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2cccc(Cl)c2F)nc1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)8-19-9-12-6-7-15(20-10-12)21-14-5-3-4-13(17)16(14)18/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyOHTWGWKWECLGSV-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.41
Rot. Bonds6

About N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 116689574) 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-1-amine.

Molecular Properties

Compound NameN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID116689574
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Oc2cccc(Cl)c2F)nc1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)8-19-9-12-6-7-15(20-10-12)21-14-5-3-4-13(17)16(14)18/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyOHTWGWKWECLGSV-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689946
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 116689533
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 116689541
5-(bromomethyl)-2-(3-chloro-2-fluorophenoxy)pyridine
CID 107089215
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323244
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323080
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
6-(3-chloro-2-fluorophenoxy)-N-(2-methylpropyl)hexan-1-amine
CID 116690384

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 116689574) is N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Oc2cccc(Cl)c2F)nc1.
What is the InChIKey of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OHTWGWKWECLGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-11(2)8-19-9-12-6-7-15(20-10-12)21-14-5-3-4-13(17)16(14)18/h3-7,10-11,19H,8-9H2,1-2H3.
What are the key properties of N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 308.78 g/mol, XLogP of 4.41, 6 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-1-amine is sourced from PubChem (CID 116689574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).