2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine

C14H18ClN3O — CID 114530890

IUPAC2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
SMILESCn1ccnc1CCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C14H18ClN3O/c1-18-8-7-17-14(18)5-9-19-13-3-2-12(15)10-11(13)4-6-16/h2-3,7-8,10H,4-6,9,16H2,1H3
InChIKeyJVZUGBMPZNTAOA-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.20
Rot. Bonds6

About 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine

2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine (PubChem CID 114530890) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
PubChem CID114530890
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
SMILESCn1ccnc1CCOc1ccc(Cl)cc1CCN
InChIInChI=1S/C14H18ClN3O/c1-18-8-7-17-14(18)5-9-19-13-3-2-12(15)10-11(13)4-6-16/h2-3,7-8,10H,4-6,9,16H2,1H3
InChIKeyJVZUGBMPZNTAOA-UHFFFAOYSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528338
(1R)-1-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934191
[5-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880022
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
[3-chloro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528359
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212601
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114530902
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
(1S)-1-[3-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine
CID 104934213
2-[2-[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]ethyl]-1-methylimidazole
CID 114528471
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
2-[2-[2-bromo-4-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528456

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine (CID 114530890) is 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine is Cn1ccnc1CCOc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
The InChIKey is JVZUGBMPZNTAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-18-8-7-17-14(18)5-9-19-13-3-2-12(15)10-11(13)4-6-16/h2-3,7-8,10H,4-6,9,16H2,1H3.
What are the key properties of 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine?
2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 114530890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).