3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine

C16H23N3O — CID 43201587

IUPAC3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCOCCCNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-3-20-12-4-9-18-14(2)15-5-7-16(8-6-15)19-11-10-17-13-19/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3
InChIKeyFBIGJDQKUUPXLV-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.95
Rot. Bonds8

About 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine

3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine (PubChem CID 43201587) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
PubChem CID43201587
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
SMILESCCOCCCNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-3-20-12-4-9-18-14(2)15-5-7-16(8-6-15)19-11-10-17-13-19/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3
InChIKeyFBIGJDQKUUPXLV-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.95
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
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
(2R)-2-(2-ethoxyethoxy)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 94796519
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 75427882
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine (CID 43201587) is 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine is CCOCCCNC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine?
The InChIKey is FBIGJDQKUUPXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-20-12-4-9-18-14(2)15-5-7-16(8-6-15)19-11-10-17-13-19/h5-8,10-11,13-14,18H,3-4,9,12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine?
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43201587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).