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

C16H23N3O — CID 66130980

IUPAC3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCCCOc1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-10-19-14-18-13-15(19)12-17-9-6-11-20-16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,2,6,9-12H2,1H3
InChIKeyHSSMUWZTZKFCSK-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds9

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

3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 66130980) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
PubChem CID66130980
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCn1cncc1CNCCCOc1ccccc1
InChIInChI=1S/C16H23N3O/c1-2-10-19-14-18-13-15(19)12-17-9-6-11-20-16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,2,6,9-12H2,1H3
InChIKeyHSSMUWZTZKFCSK-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.85
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-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66163380
N-[(3-cyclopropylimidazol-4-yl)methyl]-3-phenoxypropan-1-amine
CID 66140006
N-[(3-propylimidazol-4-yl)methyl]-2-pyridin-3-ylethanamine
CID 66131160
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
N-[(1-ethylpyrrol-2-yl)methyl]-3-phenoxypropan-1-amine
CID 66444605
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
2-(1-methyl-1,2,4-triazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 80681547
N-[[3-(3-phenylbutyl)imidazol-4-yl]methyl]propan-1-amine
CID 66152003

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine (CID 66130980) is 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is CCCn1cncc1CNCCCOc1ccccc1.
What is the InChIKey of 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is HSSMUWZTZKFCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-10-19-14-18-13-15(19)12-17-9-6-11-20-16-7-4-3-5-8-16/h3-5,7-8,13-14,17H,2,6,9-12H2,1H3.
What are the key properties of 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine?
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66130980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).