3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine

C16H23N3O — CID 66163380

IUPAC3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCC(C)n1cncc1CNCCCOc1ccccc1
InChIInChI=1S/C16H23N3O/c1-14(2)19-13-18-12-15(19)11-17-9-6-10-20-16-7-4-3-5-8-16/h3-5,7-8,12-14,17H,6,9-11H2,1-2H3
InChIKeyDGEUGLDIOHCMJN-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds8

About 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine

3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 66163380) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
PubChem CID66163380
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCC(C)n1cncc1CNCCCOc1ccccc1
InChIInChI=1S/C16H23N3O/c1-14(2)19-13-18-12-15(19)11-17-9-6-10-20-16-7-4-3-5-8-16/h3-5,7-8,12-14,17H,6,9-11H2,1-2H3
InChIKeyDGEUGLDIOHCMJN-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
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

3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-phenoxypropan-1-amine
CID 66140006
5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
CID 113327104
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 66129679
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-phenoxypropan-1-amine
CID 60975960

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine (CID 66163380) is 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine is CC(C)n1cncc1CNCCCOc1ccccc1.
What is the InChIKey of 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is DGEUGLDIOHCMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14(2)19-13-18-12-15(19)11-17-9-6-10-20-16-7-4-3-5-8-16/h3-5,7-8,12-14,17H,6,9-11H2,1-2H3.
What are the key properties of 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine?
3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66163380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).