N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine

C17H25N3O — CID 60887693

IUPACN-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)ccc1OCCn1ccnc1
InChIInChI=1S/C17H25N3O/c1-4-7-19-15(3)16-12-14(2)5-6-17(16)21-11-10-20-9-8-18-13-20/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3
InChIKeyXUTUASHYPDLVQH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.33
Rot. Bonds8

About N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine

N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine (PubChem CID 60887693) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
PubChem CID60887693
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(C)ccc1OCCn1ccnc1
InChIInChI=1S/C17H25N3O/c1-4-7-19-15(3)16-12-14(2)5-6-17(16)21-11-10-20-9-8-18-13-20/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3
InChIKeyXUTUASHYPDLVQH-UHFFFAOYSA-N
XLogP3.33
TPSA39.08 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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60882874
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541
N-[1-[5-methyl-2-(3-methylbut-3-enoxy)phenyl]ethyl]propan-1-amine
CID 114471492
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
N-[1-(2-hept-6-enoxy-5-methylphenyl)ethyl]propan-1-amine
CID 107006103
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
N-[1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 115978893
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032
N-[1-[5-methyl-2-(1,3-thiazol-4-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60888079

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine (CID 60887693) is N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(C)ccc1OCCn1ccnc1.
What is the InChIKey of N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine?
The InChIKey is XUTUASHYPDLVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-7-19-15(3)16-12-14(2)5-6-17(16)21-11-10-20-9-8-18-13-20/h5-6,8-9,12-13,15,19H,4,7,10-11H2,1-3H3.
What are the key properties of N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine?
N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-imidazol-1-ylethoxy)-5-methylphenyl]ethyl]propan-1-amine is sourced from PubChem (CID 60887693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).