N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C14H23ClN2O — CID 55058238

IUPACN-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)COc1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C14H23ClN2O/c1-10(2)9-18-13-12(15)6-11(7-16-13)8-17-14(3,4)5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyXJZPYYISTLLGRZ-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.66
Rot. Bonds5

About N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 55058238) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID55058238
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)COc1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C14H23ClN2O/c1-10(2)9-18-13-12(15)6-11(7-16-13)8-17-14(3,4)5/h6-7,10,17H,8-9H2,1-5H3
InChIKeyXJZPYYISTLLGRZ-UHFFFAOYSA-N
XLogP3.66
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 55058238) is N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)COc1ncc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XJZPYYISTLLGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-10(2)9-18-13-12(15)6-11(7-16-13)8-17-14(3,4)5/h6-7,10,17H,8-9H2,1-5H3.
What are the key properties of N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 270.80 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55058238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).