N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine

C15H21N3O — CID 66154174

IUPACN-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCCCn1cncc1COc1ccc(CNC)cc1
InChIInChI=1S/C15H21N3O/c1-3-8-18-12-17-10-14(18)11-19-15-6-4-13(5-7-15)9-16-2/h4-7,10,12,16H,3,8-9,11H2,1-2H3
InChIKeyHXFMOTZTQWGSJR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds7

About N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine

N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 66154174) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
PubChem CID66154174
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCCCn1cncc1COc1ccc(CNC)cc1
InChIInChI=1S/C15H21N3O/c1-3-8-18-12-17-10-14(18)11-19-15-6-4-13(5-7-15)9-16-2/h4-7,10,12,16H,3,8-9,11H2,1-2H3
InChIKeyHXFMOTZTQWGSJR-UHFFFAOYSA-N
XLogP2.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107686431
N-[[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]methyl]propan-1-amine
CID 66153745
1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66153594
1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66153014
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66142118
1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one
CID 113323069
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
N-[[4-[(3-methylimidazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 66142318
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine (CID 66154174) is N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine is CCCn1cncc1COc1ccc(CNC)cc1.
What is the InChIKey of N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is HXFMOTZTQWGSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-18-12-17-10-14(18)11-19-15-6-4-13(5-7-15)9-16-2/h4-7,10,12,16H,3,8-9,11H2,1-2H3.
What are the key properties of N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 66154174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).