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

C16H24ClN3O3 — CID 47030748

IUPAC1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)Cn1ccnc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-12(10-19-6-5-17-11-19)18-9-13-7-15(21-3)16(22-4)8-14(13)20-2;/h5-8,11-12,18H,9-10H2,1-4H3;1H
InChIKeyNEIKNABZTQIJPK-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.51
Rot. Bonds8

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

1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride (PubChem CID 47030748) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
PubChem CID47030748
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(C)Cn1ccnc1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-12(10-19-6-5-17-11-19)18-9-13-7-15(21-3)16(22-4)8-14(13)20-2;/h5-8,11-12,18H,9-10H2,1-4H3;1H
InChIKeyNEIKNABZTQIJPK-UHFFFAOYSA-N
XLogP2.51
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
(2R)-1-imidazol-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061791
N-[(2-chloro-6-methoxyphenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 104815886
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]benzene-1,3-diol
CID 43749681
2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 36795698
1-imidazol-1-yl-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 82893599
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-imidazol-1-ylpropan-2-amine
CID 43749824
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 78962048
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812
N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 115652117
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride?
The IUPAC name of 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride (CID 47030748) is 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride?
The canonical SMILES for 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride is COc1cc(OC)c(OC)cc1CNC(C)Cn1ccnc1.Cl.
What is the InChIKey of 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride?
The InChIKey is NEIKNABZTQIJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-12(10-19-6-5-17-11-19)18-9-13-7-15(21-3)16(22-4)8-14(13)20-2;/h5-8,11-12,18H,9-10H2,1-4H3;1H.
What are the key properties of 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride?
1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 47030748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).