(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine

C20H23N3O2 — CID 32660252

IUPAC(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
SMILESCOc1ccc(OC)c(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-15(16-4-6-18(7-5-16)23-11-10-21-14-23)22-13-17-12-19(24-2)8-9-20(17)25-3/h4-12,14-15,22H,13H2,1-3H3/t15-/m0/s1
InChIKeyNVFZKESOVFLUPR-HNNXBMFYSA-N
MW337.42 g/mol
LogP3.74
Rot. Bonds7

About (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine

(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine (PubChem CID 32660252) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
PubChem CID32660252
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
SMILESCOc1ccc(OC)c(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H23N3O2/c1-15(16-4-6-18(7-5-16)23-11-10-21-14-23)22-13-17-12-19(24-2)8-9-20(17)25-3/h4-12,14-15,22H,13H2,1-3H3/t15-/m0/s1
InChIKeyNVFZKESOVFLUPR-HNNXBMFYSA-N
XLogP3.74
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 60590010
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386
2-(2,5-dimethoxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845002
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
(1R)-1-(4-imidazol-1-ylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 9113138

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine (CID 32660252) is (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine is COc1ccc(OC)c(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
The InChIKey is NVFZKESOVFLUPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(16-4-6-18(7-5-16)23-11-10-21-14-23)22-13-17-12-19(24-2)8-9-20(17)25-3/h4-12,14-15,22H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
(1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine has a molecular weight of 337.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2,5-dimethoxyphenyl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 32660252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).