N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine

C16H23N3 — CID 62222871

IUPACN-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Cn2ccnc2CNC(C)C)cc1C
InChIInChI=1S/C16H23N3/c1-12(2)18-10-16-17-7-8-19(16)11-15-6-5-13(3)14(4)9-15/h5-9,12,18H,10-11H2,1-4H3
InChIKeyHUYNMILFMRXKSL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.05
Rot. Bonds5

About N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine

N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine (PubChem CID 62222871) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
PubChem CID62222871
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
SMILESCc1ccc(Cn2ccnc2CNC(C)C)cc1C
InChIInChI=1S/C16H23N3/c1-12(2)18-10-16-17-7-8-19(16)11-15-6-5-13(3)14(4)9-15/h5-9,12,18H,10-11H2,1-4H3
InChIKeyHUYNMILFMRXKSL-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62221815
1-[(3,4-dimethylphenyl)methyl]imidazol-2-amine
CID 60861612
N-[[1-[(5-bromo-2-fluorophenyl)methyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222710
N-[[1-(2-pyrazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221280
N-[[1-(2,3-dihydro-1H-inden-5-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66401707
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221278
1-[1-[(3,4-dichlorophenyl)methyl]imidazol-2-yl]-N-methylmethanamine
CID 42656322
3-fluoro-4-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 62222708
1-(2,5-dimethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956848

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine (CID 62222871) is N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine is Cc1ccc(Cn2ccnc2CNC(C)C)cc1C.
What is the InChIKey of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
The InChIKey is HUYNMILFMRXKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)18-10-16-17-7-8-19(16)11-15-6-5-13(3)14(4)9-15/h5-9,12,18H,10-11H2,1-4H3.
What are the key properties of N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine?
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62222871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).