3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine

C17H25N3O — CID 170866372

IUPAC3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCCOc1ccc(CCCN(C)C)cc1Cn1ccnc1
InChIInChI=1S/C17H25N3O/c1-4-21-17-8-7-15(6-5-10-19(2)3)12-16(17)13-20-11-9-18-14-20/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyMADMXMQNSNMFFE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.82
Rot. Bonds8

About 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine

3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170866372) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170866372
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCCOc1ccc(CCCN(C)C)cc1Cn1ccnc1
InChIInChI=1S/C17H25N3O/c1-4-21-17-8-7-15(6-5-10-19(2)3)12-16(17)13-20-11-9-18-14-20/h7-9,11-12,14H,4-6,10,13H2,1-3H3
InChIKeyMADMXMQNSNMFFE-UHFFFAOYSA-N
XLogP2.82
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
CID 170866655
N-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-1-(2-fluorophenyl)cyclopentan-1-amine
CID 46955052
1-[[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 46965802
2-amino-3-[3-(imidazol-1-ylmethyl)-4-propoxyphenyl]propanoic acid
CID 170880143
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
2-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111574410
1-[(2,5-dimethoxyphenyl)methyl]imidazole
CID 82079239
N-[[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]methyl]-4-methoxyaniline
CID 20956347
1-[3-(imidazol-1-ylmethyl)-4-methoxyphenyl]ethanone
CID 43233068
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine (CID 170866372) is 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine is CCOc1ccc(CCCN(C)C)cc1Cn1ccnc1.
What is the InChIKey of 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is MADMXMQNSNMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-21-17-8-7-15(6-5-10-19(2)3)12-16(17)13-20-11-9-18-14-20/h7-9,11-12,14H,4-6,10,13H2,1-3H3.
What are the key properties of 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine?
3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).