N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

C16H18ClFN2O — CID 82718553

IUPACN-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Oc2ccc(Cl)c(F)c2)ccn1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)9-19-10-12-7-14(5-6-20-12)21-13-3-4-15(17)16(18)8-13/h3-8,11,19H,9-10H2,1-2H3
InChIKeyKEUCSKFMVHDCOS-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.41
Rot. Bonds6

About N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 82718553) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID82718553
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC NameN-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Oc2ccc(Cl)c(F)c2)ccn1
InChIInChI=1S/C16H18ClFN2O/c1-11(2)9-19-10-12-7-14(5-6-20-12)21-13-3-4-15(17)16(18)8-13/h3-8,11,19H,9-10H2,1-2H3
InChIKeyKEUCSKFMVHDCOS-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-[[4-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601790
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylpropan-1-amine
CID 82727666
N-[[4-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295739
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62296126
N-[[4-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62297574
2-methyl-N-[[4-(1-phenylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62290876
N-[[4-[2-(2-methoxyethoxy)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104566255
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[4-(3,5-difluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62786202
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
N-[[4-(3,5-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64730619
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 82718553) is N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Oc2ccc(Cl)c(F)c2)ccn1.
What is the InChIKey of N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is KEUCSKFMVHDCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-11(2)9-19-10-12-7-14(5-6-20-12)21-13-3-4-15(17)16(18)8-13/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of N-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[4-(4-chloro-3-fluorophenoxy)-2-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-[[4-(4-chloro-3-fluorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82718553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).