N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine

C15H21N3O — CID 43205176

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-13(17-8-3-11-19-2)14-4-6-15(7-5-14)18-10-9-16-12-18/h4-7,9-10,12-13,17H,3,8,11H2,1-2H3
InChIKeyKWBJMPBPEHUSCL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds7

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine

N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine (PubChem CID 43205176) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
PubChem CID43205176
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
SMILESCOCCCNC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H21N3O/c1-13(17-8-3-11-19-2)14-4-6-15(7-5-14)18-10-9-16-12-18/h4-7,9-10,12-13,17H,3,8,11H2,1-2H3
InChIKeyKWBJMPBPEHUSCL-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.56
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-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
3-ethoxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43201587
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 75427882
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107459
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853
4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
CID 75516703
1-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methylpentan-2-ol
CID 103779743
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine (CID 43205176) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine is COCCCNC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine?
The InChIKey is KWBJMPBPEHUSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-13(17-8-3-11-19-2)14-4-6-15(7-5-14)18-10-9-16-12-18/h4-7,9-10,12-13,17H,3,8,11H2,1-2H3.
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 43205176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).