N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

C15H21N3O2 — CID 28832043

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCOc1cc(CNCCCn2ccnc2)cc(OC)c1
InChIInChI=1S/C15H21N3O2/c1-19-14-8-13(9-15(10-14)20-2)11-16-4-3-6-18-7-5-17-12-18/h5,7-10,12,16H,3-4,6,11H2,1-2H3
InChIKeySFBQSAXLHTUIIE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.08
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 28832043) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID28832043
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCOc1cc(CNCCCn2ccnc2)cc(OC)c1
InChIInChI=1S/C15H21N3O2/c1-19-14-8-13(9-15(10-14)20-2)11-16-4-3-6-18-7-5-17-12-18/h5,7-10,12,16H,3-4,6,11H2,1-2H3
InChIKeySFBQSAXLHTUIIE-UHFFFAOYSA-N
XLogP2.08
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]butan-1-amine
CID 61069437
N-[(3,5-dichlorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 60788679
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
3-imidazol-1-yl-N-[[4-(4-methylphenyl)phenyl]methyl]propan-1-amine
CID 142817924
1-[6-[(3,5-dimethoxyphenyl)methoxy]hexyl]imidazole;hydrochloride
CID 18921836
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
3-imidazol-1-yl-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 54848934
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 28832043) is N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is COc1cc(CNCCCn2ccnc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is SFBQSAXLHTUIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-14-8-13(9-15(10-14)20-2)11-16-4-3-6-18-7-5-17-12-18/h5,7-10,12,16H,3-4,6,11H2,1-2H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 275.35 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 28832043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).