1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine

C15H20ClN3O2 — CID 104664487

IUPAC1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
SMILESCCn1ccnc1COc1c(CNC)cc(Cl)cc1OC
InChIInChI=1S/C15H20ClN3O2/c1-4-19-6-5-18-14(19)10-21-15-11(9-17-2)7-12(16)8-13(15)20-3/h5-8,17H,4,9-10H2,1-3H3
InChIKeyFGJCZYNQXMMAKQ-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.86
Rot. Bonds7

About 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine

1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 104664487) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
PubChem CID104664487
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
SMILESCCn1ccnc1COc1c(CNC)cc(Cl)cc1OC
InChIInChI=1S/C15H20ClN3O2/c1-4-19-6-5-18-14(19)10-21-15-11(9-17-2)7-12(16)8-13(15)20-3/h5-8,17H,4,9-10H2,1-3H3
InChIKeyFGJCZYNQXMMAKQ-UHFFFAOYSA-N
XLogP2.86
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664560
1-[3-chloro-2-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 112608626
1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 62736957
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-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]-5-methoxybenzoic acid
CID 62737339
1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664553
[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 62735495
N-[(1-ethylimidazol-2-yl)methyl]-3,4,5-trimethoxyaniline
CID 62356027
1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine
CID 104664426
1-(2-butan-2-yloxy-5-chloro-3-methoxyphenyl)-N-methylmethanamine
CID 104664508

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine (CID 104664487) is 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine is CCn1ccnc1COc1c(CNC)cc(Cl)cc1OC.
What is the InChIKey of 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is FGJCZYNQXMMAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-4-19-6-5-18-14(19)10-21-15-11(9-17-2)7-12(16)8-13(15)20-3/h5-8,17H,4,9-10H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 309.80 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 104664487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).