N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine

C12H19ClN2O — CID 62291644

IUPACN-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OC(C)(C)C)ccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-5-14-8-10-9(13)6-7-11(15-10)16-12(2,3)4/h6-7,14H,5,8H2,1-4H3
InChIKeyKZFLCMKTDWHQQY-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.02
Rot. Bonds4

About N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine (PubChem CID 62291644) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
PubChem CID62291644
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OC(C)(C)C)ccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-5-14-8-10-9(13)6-7-11(15-10)16-12(2,3)4/h6-7,14H,5,8H2,1-4H3
InChIKeyKZFLCMKTDWHQQY-UHFFFAOYSA-N
XLogP3.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine (CID 62291644) is N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine is CCNCc1nc(OC(C)(C)C)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine?
The InChIKey is KZFLCMKTDWHQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-5-14-8-10-9(13)6-7-11(15-10)16-12(2,3)4/h6-7,14H,5,8H2,1-4H3.
What are the key properties of N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine has a molecular weight of 242.75 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62291644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).