1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine

C14H18ClN3O — CID 112608626

IUPAC1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCn1ccnc1COc1c(Cl)cccc1CNC
InChIInChI=1S/C14H18ClN3O/c1-3-18-8-7-17-13(18)10-19-14-11(9-16-2)5-4-6-12(14)15/h4-8,16H,3,9-10H2,1-2H3
InChIKeyWMAVTJVKZPTQLK-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.85
Rot. Bonds6

About 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine

1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine (PubChem CID 112608626) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
PubChem CID112608626
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
SMILESCCn1ccnc1COc1c(Cl)cccc1CNC
InChIInChI=1S/C14H18ClN3O/c1-3-18-8-7-17-13(18)10-19-14-11(9-16-2)5-4-6-12(14)15/h4-8,16H,3,9-10H2,1-2H3
InChIKeyWMAVTJVKZPTQLK-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-2-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608705
1-[3-chloro-2-(pyrimidin-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608649
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
1-[3-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608591
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109
N-[[3-bromo-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 62737335
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107695374
[3,5-dichloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methanol
CID 62736229
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 62736957
[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 62735495
3-[[2-chloro-6-(methylaminomethyl)phenoxy]methyl]phenol
CID 112608572
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine (CID 112608626) is 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine is CCn1ccnc1COc1c(Cl)cccc1CNC.
What is the InChIKey of 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
The InChIKey is WMAVTJVKZPTQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-18-8-7-17-13(18)10-19-14-11(9-16-2)5-4-6-12(14)15/h4-8,16H,3,9-10H2,1-2H3.
What are the key properties of 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine?
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine has a molecular weight of 279.77 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 112608626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).