N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

C18H25N3O2 — CID 46962868

IUPACN-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(CN(Cc2cncn2C)CC2CCCO2)cc1
InChIInChI=1S/C18H25N3O2/c1-20-14-19-10-16(20)12-21(13-18-4-3-9-23-18)11-15-5-7-17(22-2)8-6-15/h5-8,10,14,18H,3-4,9,11-13H2,1-2H3
InChIKeyFTHYTIZNUOOCRA-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.61
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 46962868) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID46962868
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1ccc(CN(Cc2cncn2C)CC2CCCO2)cc1
InChIInChI=1S/C18H25N3O2/c1-20-14-19-10-16(20)12-21(13-18-4-3-9-23-18)11-15-5-7-17(22-2)8-6-15/h5-8,10,14,18H,3-4,9,11-13H2,1-2H3
InChIKeyFTHYTIZNUOOCRA-UHFFFAOYSA-N
XLogP2.61
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine with MolForge

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Related Compounds

Skf 96365
CID 104955
2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
SKF-96365 free base
CID 104956
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069765
1-Benzyl-4-(4-methoxyphenyl)-1h-imidazole
CID 6539910
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
1-[2-(1-Imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 15917643

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 46962868) is N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is COc1ccc(CN(Cc2cncn2C)CC2CCCO2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is FTHYTIZNUOOCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20-14-19-10-16(20)12-21(13-18-4-3-9-23-18)11-15-5-7-17(22-2)8-6-15/h5-8,10,14,18H,3-4,9,11-13H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 315.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 46962868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).