N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine

C10H18ClN3O — CID 114531748

IUPACN-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCCOCCCl
InChIInChI=1S/C10H18ClN3O/c1-14-7-5-13-10(14)2-4-12-6-9-15-8-3-11/h5,7,12H,2-4,6,8-9H2,1H3
InChIKeyDYMYUWWWPMLCRF-UHFFFAOYSA-N
MW231.73 g/mol
LogP0.81
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 114531748) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID114531748
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCCOCCCl
InChIInChI=1S/C10H18ClN3O/c1-14-7-5-13-10(14)2-4-12-6-9-15-8-3-11/h5,7,12H,2-4,6,8-9H2,1H3
InChIKeyDYMYUWWWPMLCRF-UHFFFAOYSA-N
XLogP0.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 114527808
2-(1-methylimidazol-2-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114527813
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
CID 90045312
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 114531748) is N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CCNCCOCCCl.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is DYMYUWWWPMLCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O/c1-14-7-5-13-10(14)2-4-12-6-9-15-8-3-11/h5,7,12H,2-4,6,8-9H2,1H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 231.73 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 114531748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).