3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine

C17H25N3O3 — CID 60595533

IUPAC3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(CNCC(C)Cn2ccnc2)cc(OC)c1OC
InChIInChI=1S/C17H25N3O3/c1-13(11-20-6-5-18-12-20)9-19-10-14-7-15(21-2)17(23-4)16(8-14)22-3/h5-8,12-13,19H,9-11H2,1-4H3
InChIKeyLLHHEFQBTHSHPS-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.33
Rot. Bonds9

About 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine

3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine (PubChem CID 60595533) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
PubChem CID60595533
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine
SMILESCOc1cc(CNCC(C)Cn2ccnc2)cc(OC)c1OC
InChIInChI=1S/C17H25N3O3/c1-13(11-20-6-5-18-12-20)9-19-10-14-7-15(21-2)17(23-4)16(8-14)22-3/h5-8,12-13,19H,9-11H2,1-4H3
InChIKeyLLHHEFQBTHSHPS-UHFFFAOYSA-N
XLogP2.33
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791
3-imidazol-1-yl-N-[(4-methoxy-3-nitrophenyl)methyl]-2-methylpropan-1-amine
CID 119124841
3-imidazol-1-yl-2-methyl-N-(thiophen-3-ylmethyl)propan-1-amine
CID 115595871
3-imidazol-1-yl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 119125266
N-[[4-(difluoromethoxy)phenyl]methyl]-3-imidazol-1-yl-2-methylpropan-1-amine
CID 60595639
3-imidazol-1-yl-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 60595674
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2-imidazol-1-ylethanamine
CID 35591627
1-(3,4-dimethoxyphenyl)-3-[(2R)-3-imidazol-1-yl-2-methylpropyl]thiourea
CID 6539199
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
3-imidazol-1-yl-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 60595894
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine (CID 60595533) is 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine is COc1cc(CNCC(C)Cn2ccnc2)cc(OC)c1OC.
What is the InChIKey of 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
The InChIKey is LLHHEFQBTHSHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(11-20-6-5-18-12-20)9-19-10-14-7-15(21-2)17(23-4)16(8-14)22-3/h5-8,12-13,19H,9-11H2,1-4H3.
What are the key properties of 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine?
3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine has a molecular weight of 319.41 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-2-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 60595533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).