1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine

C15H19Cl2N3O — CID 61493243

IUPAC1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCCCn1ccnc1
InChIInChI=1S/C15H19Cl2N3O/c1-11(18)7-12-8-13(16)9-14(17)15(12)21-6-2-4-20-5-3-19-10-20/h3,5,8-11H,2,4,6-7,18H2,1H3
InChIKeyFQYDDZGHYMFJFU-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.55
Rot. Bonds7

About 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine

1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine (PubChem CID 61493243) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
PubChem CID61493243
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(Cl)cc(Cl)c1OCCCn1ccnc1
InChIInChI=1S/C15H19Cl2N3O/c1-11(18)7-12-8-13(16)9-14(17)15(12)21-6-2-4-20-5-3-19-10-20/h3,5,8-11H,2,4,6-7,18H2,1H3
InChIKeyFQYDDZGHYMFJFU-UHFFFAOYSA-N
XLogP3.55
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.55
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-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29225349
1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 107701135
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-(3-imidazol-1-ylpropyl)-2-methyl-3-[2-(2,4,6-trichlorophenoxy)ethyl]guanidine;hydroiodide
CID 109464333
1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
CID 114476284
[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 112612886
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
CID 24761429
1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
CID 63326379
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine (CID 61493243) is 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine is CC(N)Cc1cc(Cl)cc(Cl)c1OCCCn1ccnc1.
What is the InChIKey of 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
The InChIKey is FQYDDZGHYMFJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-11(18)7-12-8-13(16)9-14(17)15(12)21-6-2-4-20-5-3-19-10-20/h3,5,8-11H,2,4,6-7,18H2,1H3.
What are the key properties of 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine?
1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine has a molecular weight of 328.24 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 61493243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).