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

C16H23N3O3 — CID 38061827

IUPAC(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(OC)cc1CN[C@H](C)Cn1ccnc1
InChIInChI=1S/C16H23N3O3/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/t12-/m1/s1
InChIKeyNRSCLEIIMBNDCL-GFCCVEGCSA-N
MW305.38 g/mol
LogP2.09
Rot. Bonds8

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

(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine (PubChem CID 38061827) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
PubChem CID38061827
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(OC)c(OC)cc1CN[C@H](C)Cn1ccnc1
InChIInChI=1S/C16H23N3O3/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/t12-/m1/s1
InChIKeyNRSCLEIIMBNDCL-GFCCVEGCSA-N
XLogP2.09
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 47030748
(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-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468
N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 115652117
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044

Frequently Asked Questions

What is the IUPAC name of (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine (CID 38061827) is (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine is COc1cc(OC)c(OC)cc1CN[C@H](C)Cn1ccnc1.
What is the InChIKey of (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
The InChIKey is NRSCLEIIMBNDCL-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O3/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/t12-/m1/s1.
What are the key properties of (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine?
(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine has a molecular weight of 305.38 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 38061827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).