(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine

C20H23N3O — CID 89492565

IUPAC(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C
InChIInChI=1S/C20H23N3O/c1-14-11-16(9-10-19(14)24-3)12-21-15(2)20-22-13-18(23-20)17-7-5-4-6-8-17/h4-11,13,15,21H,12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyFRWWTQSTTHURCR-HNNXBMFYSA-N
MW321.42 g/mol
LogP4.24
Rot. Bonds6

About (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine

(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine (PubChem CID 89492565) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine
PubChem CID89492565
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C
InChIInChI=1S/C20H23N3O/c1-14-11-16(9-10-19(14)24-3)12-21-15(2)20-22-13-18(23-20)17-7-5-4-6-8-17/h4-11,13,15,21H,12H2,1-3H3,(H,22,23)/t15-/m0/s1
InChIKeyFRWWTQSTTHURCR-HNNXBMFYSA-N
XLogP4.24
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoate
CID 118989126
(Z)-but-2-enedioic acid;methyl 2-methoxy-5-[[[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoate
CID 162339182
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43233112
N-[[4-methoxy-3-(6-methyl-3-pyridinyl)phenyl]methyl]-1-phenylethanamine
CID 20803287
2-[(4-methoxy-3-methylphenyl)methylamino]propan-1-ol
CID 43776404
(1S)-1-(4-methoxy-3-methylphenyl)-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]ethanamine
CID 99853538
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[(4-methoxy-3-methylphenyl)methyl]but-3-en-2-amine
CID 115691288
(1R)-N-[[4-methoxy-3-(4-methylphenyl)phenyl]methyl]-1-phenylethanamine
CID 58833177
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine?
The IUPAC name of (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine (CID 89492565) is (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine is COc1ccc(CN[C@@H](C)c2ncc(-c3ccccc3)[nH]2)cc1C.
What is the InChIKey of (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine?
The InChIKey is FRWWTQSTTHURCR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-11-16(9-10-19(14)24-3)12-21-15(2)20-22-13-18(23-20)17-7-5-4-6-8-17/h4-11,13,15,21H,12H2,1-3H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine?
(1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine has a molecular weight of 321.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4-methoxy-3-methylphenyl)methyl]-1-(5-phenyl-1H-imidazol-2-yl)ethanamine is sourced from PubChem (CID 89492565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).