3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine

C15H21N3 — CID 43773811

IUPAC3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCc1cccc(C(C)NCCCn2ccnc2)c1
InChIInChI=1S/C15H21N3/c1-13-5-3-6-15(11-13)14(2)17-7-4-9-18-10-8-16-12-18/h3,5-6,8,10-12,14,17H,4,7,9H2,1-2H3
InChIKeyVUOQCHLXAUPGDG-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds6

About 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine

3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 43773811) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID43773811
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
SMILESCc1cccc(C(C)NCCCn2ccnc2)c1
InChIInChI=1S/C15H21N3/c1-13-5-3-6-15(11-13)14(2)17-7-4-9-18-10-8-16-12-18/h3,5-6,8,10-12,14,17H,4,7,9H2,1-2H3
InChIKeyVUOQCHLXAUPGDG-UHFFFAOYSA-N
XLogP2.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzonitrile
CID 43773848
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
1-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-2-amine
CID 43791961
N-[(1S)-1-(3-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 97229657
1-(3-bromophenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323866
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
N-[1-(4-chloro-3-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine;dihydrochloride
CID 19429517
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114871153
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine (CID 43773811) is 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine is Cc1cccc(C(C)NCCCn2ccnc2)c1.
What is the InChIKey of 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is VUOQCHLXAUPGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-13-5-3-6-15(11-13)14(2)17-7-4-9-18-10-8-16-12-18/h3,5-6,8,10-12,14,17H,4,7,9H2,1-2H3.
What are the key properties of 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine?
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43773811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).