N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine

C15H21N3O2 — CID 60815706

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNC(C)c1ccc(-n2ccnc2)cc1)OC
InChIInChI=1S/C15H21N3O2/c1-12(17-10-15(19-2)20-3)13-4-6-14(7-5-13)18-9-8-16-11-18/h4-9,11-12,15,17H,10H2,1-3H3
InChIKeyYAFOSALMKTZOOS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.14
Rot. Bonds7

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine (PubChem CID 60815706) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
PubChem CID60815706
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
SMILESCOC(CNC(C)c1ccc(-n2ccnc2)cc1)OC
InChIInChI=1S/C15H21N3O2/c1-12(17-10-15(19-2)20-3)13-4-6-14(7-5-13)18-9-8-16-11-18/h4-9,11-12,15,17H,10H2,1-3H3
InChIKeyYAFOSALMKTZOOS-UHFFFAOYSA-N
XLogP2.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
CID 103779743
1,1-difluoro-3-[1-(4-imidazol-1-ylphenyl)ethylamino]propan-2-ol
CID 103787996
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine (CID 60815706) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine is COC(CNC(C)c1ccc(-n2ccnc2)cc1)OC.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine?
The InChIKey is YAFOSALMKTZOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(17-10-15(19-2)20-3)13-4-6-14(7-5-13)18-9-8-16-11-18/h4-9,11-12,15,17H,10H2,1-3H3.
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine is sourced from PubChem (CID 60815706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).