N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine

C12H19ClN2O — CID 114927663

IUPACN-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OCC(C)C)ncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-14-6-10-5-12(15-7-11(10)13)16-8-9(2)3/h5,7,9,14H,4,6,8H2,1-3H3
InChIKeyHISXBZVBUABNMH-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.88
Rot. Bonds6

About N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine

N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 114927663) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID114927663
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OCC(C)C)ncc1Cl
InChIInChI=1S/C12H19ClN2O/c1-4-14-6-10-5-12(15-7-11(10)13)16-8-9(2)3/h5,7,9,14H,4,6,8H2,1-3H3
InChIKeyHISXBZVBUABNMH-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-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
N-[[5-chloro-2-(2-piperidin-1-ylethoxy)-4-pyridinyl]methyl]ethanamine
CID 114928248
N-[[5-chloro-2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927846
N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 62290312
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[5-chloro-2-(2,6-dimethyloxan-4-yl)oxy-4-pyridinyl]methyl]ethanamine
CID 114929062
N-[(5-chloro-2-phenoxy-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114928222

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine (CID 114927663) is N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(OCC(C)C)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is HISXBZVBUABNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-14-6-10-5-12(15-7-11(10)13)16-8-9(2)3/h5,7,9,14H,4,6,8H2,1-3H3.
What are the key properties of N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine?
N-[[5-chloro-2-(2-methylpropoxy)-4-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-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114927663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).