3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride

C17H26ClN3O — CID 170866655

IUPAC3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc(CCCN(C)C)cc1Cn1ccnc1C.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-14-18-9-11-20(14)13-16-12-15(6-5-10-19(2)3)7-8-17(16)21-4;/h7-9,11-12H,5-6,10,13H2,1-4H3;1H
InChIKeyOSBGTXKHBLOVMT-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.16
Rot. Bonds7

About 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride

3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 170866655) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID170866655
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCOc1ccc(CCCN(C)C)cc1Cn1ccnc1C.Cl
InChIInChI=1S/C17H25N3O.ClH/c1-14-18-9-11-20(14)13-16-12-15(6-5-10-19(2)3)7-8-17(16)21-4;/h7-9,11-12H,5-6,10,13H2,1-4H3;1H
InChIKeyOSBGTXKHBLOVMT-UHFFFAOYSA-N
XLogP3.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
CID 62018219
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
3-[4-ethoxy-3-(imidazol-1-ylmethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866372
3-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-N,N-dimethylpropan-1-amine
CID 170865479
1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
CID 46981248
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
CID 93242506
2-[4-methoxy-3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493364
3-[3-[(dimethylamino)methyl]-4-ethoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866696
[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221952

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride (CID 170866655) is 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride is COc1ccc(CCCN(C)C)cc1Cn1ccnc1C.Cl.
What is the InChIKey of 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is OSBGTXKHBLOVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.ClH/c1-14-18-9-11-20(14)13-16-12-15(6-5-10-19(2)3)7-8-17(16)21-4;/h7-9,11-12H,5-6,10,13H2,1-4H3;1H.
What are the key properties of 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride?
3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 170866655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).