(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine

C14H19N3 — CID 104942333

IUPAC(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1Cc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-13(15)14-8-16-10-17(14)9-12-6-4-5-11(2)7-12/h4-8,10,13H,3,9,15H2,1-2H3/t13-/m1/s1
InChIKeyHXKJXHHEYGQDMK-CYBMUJFWSA-N
MW229.33 g/mol
LogP2.65
Rot. Bonds4

About (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine

(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine (PubChem CID 104942333) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
PubChem CID104942333
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1Cc1cccc(C)c1
InChIInChI=1S/C14H19N3/c1-3-13(15)14-8-16-10-17(14)9-12-6-4-5-11(2)7-12/h4-8,10,13H,3,9,15H2,1-2H3/t13-/m1/s1
InChIKeyHXKJXHHEYGQDMK-CYBMUJFWSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[3-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942663
(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
(1R)-1-[3-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]propan-1-amine
CID 104942643
1-(3-ethylimidazol-4-yl)-2-(3-methylphenyl)ethanol
CID 66132887
1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62729897
(1R)-1-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942316
[2-methyl-4-(4-methylphenyl)phenyl]-[3-[(3-methylphenyl)methyl]imidazol-4-yl]methanol
CID 54432683
1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969656
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
(1R)-1-[3-[(5-methyl-1,3-oxazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 106377532
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66145704
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine (CID 104942333) is (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1Cc1cccc(C)c1.
What is the InChIKey of (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine?
The InChIKey is HXKJXHHEYGQDMK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-13(15)14-8-16-10-17(14)9-12-6-4-5-11(2)7-12/h4-8,10,13H,3,9,15H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine?
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).