N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine

C16H23N3O — CID 65172569

IUPACN-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)n1Cc1cccc(OC)c1
InChIInChI=1S/C16H23N3O/c1-4-8-17-10-15-11-18-13(2)19(15)12-14-6-5-7-16(9-14)20-3/h5-7,9,11,17H,4,8,10,12H2,1-3H3
InChIKeyLJQKTJXBQFKCJZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds7

About N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine

N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine (PubChem CID 65172569) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
PubChem CID65172569
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C)n1Cc1cccc(OC)c1
InChIInChI=1S/C16H23N3O/c1-4-8-17-10-15-11-18-13(2)19(15)12-14-6-5-7-16(9-14)20-3/h5-7,9,11,17H,4,8,10,12H2,1-3H3
InChIKeyLJQKTJXBQFKCJZ-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[2-methyl-3-[(2-methylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 65172394
N'-[2-(3-methoxyphenyl)ethyl]-N-propylpropane-1,3-diamine
CID 113410220
N-[[3-[(3-methoxyphenyl)methylsulfanyl]phenyl]methyl]propan-1-amine
CID 66349415
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 126966945
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
1-methoxy-3-propylbenzene
CID 14270128
2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979384
N-[[5-(3-methoxyphenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107381742
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
3-[(3-methoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 117166254
N-[[3-[(3-methylphenyl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66145704
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine (CID 65172569) is N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine is CCCNCc1cnc(C)n1Cc1cccc(OC)c1.
What is the InChIKey of N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
The InChIKey is LJQKTJXBQFKCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-8-17-10-15-11-18-13(2)19(15)12-14-6-5-7-16(9-14)20-3/h5-7,9,11,17H,4,8,10,12H2,1-3H3.
What are the key properties of N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine?
N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65172569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).