1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine

C17H25N3O — CID 63326379

IUPAC1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1OCCCn1ccnc1
InChIInChI=1S/C17H25N3O/c1-3-16(18)12-15-11-14(2)5-6-17(15)21-10-4-8-20-9-7-19-13-20/h5-7,9,11,13,16H,3-4,8,10,12,18H2,1-2H3
InChIKeyMOZOPWBABNKJEW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.94
Rot. Bonds8

About 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine

1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine (PubChem CID 63326379) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
PubChem CID63326379
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(C)ccc1OCCCn1ccnc1
InChIInChI=1S/C17H25N3O/c1-3-16(18)12-15-11-14(2)5-6-17(15)21-10-4-8-20-9-7-19-13-20/h5-7,9,11,13,16H,3-4,8,10,12,18H2,1-2H3
InChIKeyMOZOPWBABNKJEW-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.94
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

2-(3-imidazol-1-ylpropoxy)-4-methylaniline
CID 54961228
1-[5-fluoro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 107701135
1-[2-(4-methoxybutoxy)-5-methylphenyl]butan-2-amine
CID 104648841
1-[4-(4-methyl-2-prop-2-enylphenoxy)butyl]imidazole
CID 2923427
1-[3-(2-imidazol-1-ylethoxy)-6-methyl-2-pyridinyl]butan-2-amine
CID 79169011
1-[5-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]butan-2-amine
CID 55201689
1-[2-(2-benzyl-4-methylphenoxy)ethyl]imidazole;hydrochloride
CID 2993981
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[3-(4-iodo-2-methylphenoxy)propyl]imidazole
CID 2995325
1-[3,5-dibromo-4-(2-imidazol-1-ylethoxy)phenyl]butan-2-amine
CID 107740010
1-[3-[2-(4-chlorobut-1-ynyl)-4-methylphenoxy]propyl]imidazole
CID 61492800
methyl 3-[2-(2-aminobutyl)-4-methylphenoxy]-2,2-dimethylpropanoate
CID 79621644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine?
The IUPAC name of 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine (CID 63326379) is 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine?
The canonical SMILES for 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine is CCC(N)Cc1cc(C)ccc1OCCCn1ccnc1.
What is the InChIKey of 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine?
The InChIKey is MOZOPWBABNKJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-16(18)12-15-11-14(2)5-6-17(15)21-10-4-8-20-9-7-19-13-20/h5-7,9,11,13,16H,3-4,8,10,12,18H2,1-2H3.
What are the key properties of 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine?
1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-imidazol-1-ylpropoxy)-5-methylphenyl]butan-2-amine is sourced from PubChem (CID 63326379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).