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

C14H17Cl2N3O2 — CID 104664560

IUPAC1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H17Cl2N3O2/c1-17-6-9-4-10(15)5-11(20-3)14(9)21-8-13-18-7-12(16)19(13)2/h4-5,7,17H,6,8H2,1-3H3
InChIKeyQXCWHSQKXREQLJ-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.03
Rot. Bonds6

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

1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 104664560) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
PubChem CID104664560
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCc1ncc(Cl)n1C
InChIInChI=1S/C14H17Cl2N3O2/c1-17-6-9-4-10(15)5-11(20-3)14(9)21-8-13-18-7-12(16)19(13)2/h4-5,7,17H,6,8H2,1-3H3
InChIKeyQXCWHSQKXREQLJ-UHFFFAOYSA-N
XLogP3.03
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881259
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664553
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509
1-[2-[(3-bromothiophen-2-yl)methoxy]-5-chloro-3-methoxyphenyl]-N-methylmethanamine
CID 104664426
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
N-[[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 60881637
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]-1-methyl-1,2,4-triazole
CID 113438882
1-[3-chloro-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 43524998

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine (CID 104664560) is 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(OC)c1OCc1ncc(Cl)n1C.
What is the InChIKey of 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is QXCWHSQKXREQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-17-6-9-4-10(15)5-11(20-3)14(9)21-8-13-18-7-12(16)19(13)2/h4-5,7,17H,6,8H2,1-3H3.
What are the key properties of 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine?
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 330.22 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 104664560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).