1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine

C14H19N3O — CID 43200664

IUPAC1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-12(16-8-10-18-2)13-3-5-14(6-4-13)17-9-7-15-11-17/h3-7,9,11-12,16H,8,10H2,1-2H3
InChIKeyVJQXVONHYNMCHT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.17
Rot. Bonds6

About 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine

1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine (PubChem CID 43200664) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
PubChem CID43200664
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C14H19N3O/c1-12(16-8-10-18-2)13-3-5-14(6-4-13)17-9-7-15-11-17/h3-7,9,11-12,16H,8,10H2,1-2H3
InChIKeyVJQXVONHYNMCHT-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
CID 75516703
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine (CID 43200664) is 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is VJQXVONHYNMCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(16-8-10-18-2)13-3-5-14(6-4-13)17-9-7-15-11-17/h3-7,9,11-12,16H,8,10H2,1-2H3.
What are the key properties of 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine?
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 43200664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).