1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine

C16H23N3O — CID 61494811

IUPAC1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-3-16(17-2)14-5-7-15(8-6-14)20-12-4-10-19-11-9-18-13-19/h5-9,11,13,16-17H,3-4,10,12H2,1-2H3
InChIKeyCXIRTXSTOHPGFE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.02
Rot. Bonds8

About 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine

1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine (PubChem CID 61494811) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine
PubChem CID61494811
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(OCCCn2ccnc2)cc1
InChIInChI=1S/C16H23N3O/c1-3-16(17-2)14-5-7-15(8-6-14)20-12-4-10-19-11-9-18-13-19/h5-9,11,13,16-17H,3-4,10,12H2,1-2H3
InChIKeyCXIRTXSTOHPGFE-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

1-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 54961343
1-[4-(6-imidazol-1-ylhexoxy)phenyl]ethanol
CID 18921919
N-methyl-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-amine
CID 60892058
1-[4-(4-fluorophenoxy)butyl]imidazole
CID 31196577
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
6-[4-[1-(methylamino)propyl]phenoxy]hexan-1-ol
CID 107702416
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine (CID 61494811) is 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine is CCC(NC)c1ccc(OCCCn2ccnc2)cc1.
What is the InChIKey of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine?
The InChIKey is CXIRTXSTOHPGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16(17-2)14-5-7-15(8-6-14)20-12-4-10-19-11-9-18-13-19/h5-9,11,13,16-17H,3-4,10,12H2,1-2H3.
What are the key properties of 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine?
1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-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 1-[4-(3-imidazol-1-ylpropoxy)phenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 61494811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).