3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine

C13H17N3 — CID 64503955

IUPAC3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
SMILESCn1ccnc1CCC(N)c1ccccc1
InChIInChI=1S/C13H17N3/c1-16-10-9-15-13(16)8-7-12(14)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,14H2,1H3
InChIKeyYAKQLALMIMKVIP-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.05
Rot. Bonds4

About 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine

3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine (PubChem CID 64503955) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
PubChem CID64503955
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
SMILESCn1ccnc1CCC(N)c1ccccc1
InChIInChI=1S/C13H17N3/c1-16-10-9-15-13(16)8-7-12(14)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,14H2,1H3
InChIKeyYAKQLALMIMKVIP-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
1-(4-ethylsulfanylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 106848552
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
3-(1-methylimidazol-2-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 105049951
3-(1-methylimidazol-2-yl)-1-quinoxalin-5-ylpropan-1-amine
CID 105187594
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103216419
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 114528615
1-(2,3-dihydro-1H-inden-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530343
[4-(1-methylimidazol-2-yl)-1-phenylsulfanylbutan-2-yl]hydrazine
CID 105228177
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine (CID 64503955) is 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine is Cn1ccnc1CCC(N)c1ccccc1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine?
The InChIKey is YAKQLALMIMKVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-10-9-15-13(16)8-7-12(14)11-5-3-2-4-6-11/h2-6,9-10,12H,7-8,14H2,1H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine?
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 64503955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).