2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine

C12H19ClN2O — CID 63691033

IUPAC2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
SMILESCCOCCN(CC)c1ccnc(CCl)c1
InChIInChI=1S/C12H19ClN2O/c1-3-15(7-8-16-4-2)12-5-6-14-11(9-12)10-13/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyROISSTPIKPKETA-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.68
Rot. Bonds7

About 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine

2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine (PubChem CID 63691033) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
PubChem CID63691033
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
SMILESCCOCCN(CC)c1ccnc(CCl)c1
InChIInChI=1S/C12H19ClN2O/c1-3-15(7-8-16-4-2)12-5-6-14-11(9-12)10-13/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyROISSTPIKPKETA-UHFFFAOYSA-N
XLogP2.68
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340
N,N-bis(2-ethoxyethyl)-2-hydrazinylpyridin-4-amine
CID 113368280
4-(chloromethyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
CID 63698104
2-(chloromethyl)-N,N-dimethylpyridin-4-amine;dihydrochloride
CID 154776295
6-(chloromethyl)-N,N-bis(2-ethoxyethyl)pyridazin-3-amine
CID 82961078
6-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 66465515
2-chloro-4-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 55226542
4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
CID 63695941
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyl-5-fluoroaniline
CID 102814011
N-(2-ethoxyethyl)-N-methyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 81074807
3-[2-ethoxyethyl(ethyl)amino]benzoic acid
CID 102822991
4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
CID 105390289

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine?
The IUPAC name of 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine (CID 63691033) is 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine?
The canonical SMILES for 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine is CCOCCN(CC)c1ccnc(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine?
The InChIKey is ROISSTPIKPKETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-3-15(7-8-16-4-2)12-5-6-14-11(9-12)10-13/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine?
2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine has a molecular weight of 242.75 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine is sourced from PubChem (CID 63691033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).