N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine

C15H21N3 — CID 82558274

IUPACN-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1CCc1ccccc1
InChIInChI=1S/C15H21N3/c1-16-10-5-12-18-13-11-17-15(18)9-8-14-6-3-2-4-7-14/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3
InChIKeyMDJWVMTYNVKYJJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.28
Rot. Bonds7

About N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine

N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine (PubChem CID 82558274) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
PubChem CID82558274
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
SMILESCNCCCn1ccnc1CCc1ccccc1
InChIInChI=1S/C15H21N3/c1-16-10-5-12-18-13-11-17-15(18)9-8-14-6-3-2-4-7-14/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3
InChIKeyMDJWVMTYNVKYJJ-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.28
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

N-methyl-3-[2-(2-phenoxyethyl)imidazol-1-yl]propan-1-amine
CID 82558328
3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine
CID 57082680
2-[2-(2-phenylethyl)imidazol-1-yl]ethanamine
CID 82558268
2-[2-[2-(4-chlorophenyl)ethyl]imidazol-1-yl]-N-methylethanamine
CID 82558058
2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
N-methyl-1-(3-phenylpropyl)imidazol-2-amine
CID 106563175
2-(chloromethyl)-1-(4-phenylbutyl)imidazole
CID 114334337
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
N-methyl-3-[2-(2-methylphenyl)imidazol-1-yl]propan-1-amine
CID 82559024
1,3-diethyl-2-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]guanidine
CID 111911648
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine (CID 82558274) is N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine is CNCCCn1ccnc1CCc1ccccc1.
What is the InChIKey of N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
The InChIKey is MDJWVMTYNVKYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-16-10-5-12-18-13-11-17-15(18)9-8-14-6-3-2-4-7-14/h2-4,6-7,11,13,16H,5,8-10,12H2,1H3.
What are the key properties of N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine?
N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(2-phenylethyl)imidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82558274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).