[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine

C15H21N3O — CID 112607433

IUPAC[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCCCn1cncc1COc1c(C)cccc1CN
InChIInChI=1S/C15H21N3O/c1-3-7-18-11-17-9-14(18)10-19-15-12(2)5-4-6-13(15)8-16/h4-6,9,11H,3,7-8,10,16H2,1-2H3
InChIKeyRMYXTKUPTFAJRL-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds6

About [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine

[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine (PubChem CID 112607433) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
PubChem CID112607433
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
SMILESCCCn1cncc1COc1c(C)cccc1CN
InChIInChI=1S/C15H21N3O/c1-3-7-18-11-17-9-14(18)10-19-15-12(2)5-4-6-13(15)8-16/h4-6,9,11H,3,7-8,10,16H2,1-2H3
InChIKeyRMYXTKUPTFAJRL-UHFFFAOYSA-N
XLogP2.64
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(3-ethylimidazol-4-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608173
[6-methyl-3-[(3-propylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79163082
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 66154561
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66153014
N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
5-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-ethyl-1-methylpyrazole
CID 112613264
3,5-dibromo-4-[(3-propylimidazol-4-yl)methoxy]benzaldehyde
CID 107738352
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
[3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]phenyl]methanol
CID 66152427

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine (CID 112607433) is [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine is CCCn1cncc1COc1c(C)cccc1CN.
What is the InChIKey of [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
The InChIKey is RMYXTKUPTFAJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-7-18-11-17-9-14(18)10-19-15-12(2)5-4-6-13(15)8-16/h4-6,9,11H,3,7-8,10,16H2,1-2H3.
What are the key properties of [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine?
[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine has a molecular weight of 259.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 112607433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).