4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine

C12H19ClN2O — CID 105067521

IUPAC4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
SMILESCOCCN(c1cnccc1CCl)C(C)C
InChIInChI=1S/C12H19ClN2O/c1-10(2)15(6-7-16-3)12-9-14-5-4-11(12)8-13/h4-5,9-10H,6-8H2,1-3H3
InChIKeyFZSWWJNXZBLSOY-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.68
Rot. Bonds6

About 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine

4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine (PubChem CID 105067521) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
PubChem CID105067521
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
SMILESCOCCN(c1cnccc1CCl)C(C)C
InChIInChI=1S/C12H19ClN2O/c1-10(2)15(6-7-16-3)12-9-14-5-4-11(12)8-13/h4-5,9-10H,6-8H2,1-3H3
InChIKeyFZSWWJNXZBLSOY-UHFFFAOYSA-N
XLogP2.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 105067390
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carbonitrile
CID 82948128
3-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82961141
3-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
CID 82953192
4-(chloromethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105067372
4-(chloromethyl)-N,N-dimethylpyridin-3-amine
CID 105067273
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-3-amine
CID 105073489
4-(chloromethyl)-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylaniline
CID 82951076
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
5-(chloromethyl)-N-(2-methoxyethyl)-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 83183892
3-(chloromethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81237062

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine (CID 105067521) is 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine is COCCN(c1cnccc1CCl)C(C)C.
What is the InChIKey of 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine?
The InChIKey is FZSWWJNXZBLSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-10(2)15(6-7-16-3)12-9-14-5-4-11(12)8-13/h4-5,9-10H,6-8H2,1-3H3.
What are the key properties of 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine?
4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine has a molecular weight of 242.75 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 105067521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).