1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine

C14H19N3O — CID 60883624

IUPAC1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C14H19N3O/c1-12(15-2)13-4-3-5-14(10-13)18-9-8-17-7-6-16-11-17/h3-7,10-12,15H,8-9H2,1-2H3
InChIKeyDPECEOJFZTXVEU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.24
Rot. Bonds6

About 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine

1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine (PubChem CID 60883624) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
PubChem CID60883624
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine
SMILESCNC(C)c1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C14H19N3O/c1-12(15-2)13-4-3-5-14(10-13)18-9-8-17-7-6-16-11-17/h3-7,10-12,15H,8-9H2,1-2H3
InChIKeyDPECEOJFZTXVEU-UHFFFAOYSA-N
XLogP2.24
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-imidazol-1-ylethylsulfanyl)phenyl]-N-methylethanamine
CID 64665054
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434
1-[2-[3-[1-(methylamino)ethyl]phenoxy]ethyl]imidazolidin-2-one
CID 43279878
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
1-[3-(3-ethoxypropoxy)phenyl]-N-methylethanamine
CID 65176672
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine
CID 19811578

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine (CID 60883624) is 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine is CNC(C)c1cccc(OCCn2ccnc2)c1.
What is the InChIKey of 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine?
The InChIKey is DPECEOJFZTXVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(15-2)13-4-3-5-14(10-13)18-9-8-17-7-6-16-11-17/h3-7,10-12,15H,8-9H2,1-2H3.
What are the key properties of 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine?
1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-imidazol-1-ylethoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 60883624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).