N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine

C12H19ClN2O — CID 62290312

IUPACN-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OCC(C)C)ccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-14-7-11-10(13)5-6-12(15-11)16-8-9(2)3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyLUTIDQRGGBGOHQ-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.88
Rot. Bonds6

About N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 62290312) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID62290312
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OCC(C)C)ccc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-14-7-11-10(13)5-6-12(15-11)16-8-9(2)3/h5-6,9,14H,4,7-8H2,1-3H3
InChIKeyLUTIDQRGGBGOHQ-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-6-octoxy-2-pyridinyl)methyl]ethanamine
CID 63488462
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62291916
N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 65125443
N-[[3-chloro-6-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62292539
N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62291644
N-[(3-chloro-6-heptoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 63488450
N-[[3-chloro-6-[2-(diethylamino)ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296834
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
CID 114927663
N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63487984
N-[[3-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 115942738
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine (CID 62290312) is N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(OCC(C)C)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is LUTIDQRGGBGOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-14-7-11-10(13)5-6-12(15-11)16-8-9(2)3/h5-6,9,14H,4,7-8H2,1-3H3.
What are the key properties of N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 242.75 g/mol, XLogP of 2.88, 6 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-methylpropoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62290312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).