N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine

C15H21N3O — CID 106719431

IUPACN-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(Cn2cnc(CNC(C)C)c2)cc1
InChIInChI=1S/C15H21N3O/c1-12(2)16-8-14-10-18(11-17-14)9-13-4-6-15(19-3)7-5-13/h4-7,10-12,16H,8-9H2,1-3H3
InChIKeyOUPUIAXZEWQZLF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds6

About N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine

N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719431) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719431
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(Cn2cnc(CNC(C)C)c2)cc1
InChIInChI=1S/C15H21N3O/c1-12(2)16-8-14-10-18(11-17-14)9-13-4-6-15(19-3)7-5-13/h4-7,10-12,16H,8-9H2,1-3H3
InChIKeyOUPUIAXZEWQZLF-UHFFFAOYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
4-[[4-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenol
CID 106719587
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719299
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
N-[[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719574
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
N-[[1-(pyridazin-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204577
N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719449

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine (CID 106719431) is N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine is COc1ccc(Cn2cnc(CNC(C)C)c2)cc1.
What is the InChIKey of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is OUPUIAXZEWQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(2)16-8-14-10-18(11-17-14)9-13-4-6-15(19-3)7-5-13/h4-7,10-12,16H,8-9H2,1-3H3.
What are the key properties of N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine?
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).