1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine

C14H18ClN3O2 — CID 104664553

IUPAC1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCCn1ccnc1
InChIInChI=1S/C14H18ClN3O2/c1-16-9-11-7-12(15)8-13(19-2)14(11)20-6-5-18-4-3-17-10-18/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyUROVBLQFUFZHPJ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.34
Rot. Bonds7

About 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine

1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine (PubChem CID 104664553) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
PubChem CID104664553
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)cc(OC)c1OCCn1ccnc1
InChIInChI=1S/C14H18ClN3O2/c1-16-9-11-7-12(15)8-13(19-2)14(11)20-6-5-18-4-3-17-10-18/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyUROVBLQFUFZHPJ-UHFFFAOYSA-N
XLogP2.34
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-4-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 60878545
1-[5-chloro-3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-N-methylmethanamine
CID 104664509
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
1-[5-chloro-2-(ethoxymethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664444
methyl 3-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]propanoate
CID 104664543
1-[4-(2-imidazol-1-ylethoxy)-3-[[3-methoxy-5-(methylaminomethyl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]methoxy]phenyl]-N-methylmethanamine
CID 167244413
1-[5-chloro-2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664487
1-[5-chloro-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106450713
1-[5-chloro-2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 104664560
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N-methylbutanamide
CID 104664360
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29225349
4-[4-chloro-2-methoxy-6-(methylaminomethyl)phenoxy]-N,N-dimethylbutanamide
CID 104664419

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine (CID 104664553) is 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine is CNCc1cc(Cl)cc(OC)c1OCCn1ccnc1.
What is the InChIKey of 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
The InChIKey is UROVBLQFUFZHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-16-9-11-7-12(15)8-13(19-2)14(11)20-6-5-18-4-3-17-10-18/h3-4,7-8,10,16H,5-6,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine?
1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine has a molecular weight of 295.77 g/mol, XLogP of 2.34, 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-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 104664553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).