3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline

C12H14ClN3O — CID 107716171

IUPAC3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
SMILESCn1ccnc1CCOc1c(N)cccc1Cl
InChIInChI=1S/C12H14ClN3O/c1-16-7-6-15-11(16)5-8-17-12-9(13)3-2-4-10(12)14/h2-4,6-7H,5,8,14H2,1H3
InChIKeySECQTKPRXMGFBB-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.28
Rot. Bonds4

About 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline

3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline (PubChem CID 107716171) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
PubChem CID107716171
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
SMILESCn1ccnc1CCOc1c(N)cccc1Cl
InChIInChI=1S/C12H14ClN3O/c1-16-7-6-15-11(16)5-8-17-12-9(13)3-2-4-10(12)14/h2-4,6-7H,5,8,14H2,1H3
InChIKeySECQTKPRXMGFBB-UHFFFAOYSA-N
XLogP2.28
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylimidazol-2-yl)ethyl 2-amino-3-chlorobenzoate
CID 114531084
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
3-chloro-2-propoxyaniline
CID 14618927
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
1-[3-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]butan-2-amine
CID 114530916
3-chloro-2-(2-phenylethoxy)aniline
CID 26189150
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 114530890
3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
3-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528030

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline?
The IUPAC name of 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline (CID 107716171) is 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline.
What is the SMILES notation for 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline?
The canonical SMILES for 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline is Cn1ccnc1CCOc1c(N)cccc1Cl.
What is the InChIKey of 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline?
The InChIKey is SECQTKPRXMGFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-7-6-15-11(16)5-8-17-12-9(13)3-2-4-10(12)14/h2-4,6-7H,5,8,14H2,1H3.
What are the key properties of 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline?
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline has a molecular weight of 251.72 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline is sourced from PubChem (CID 107716171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).