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

C16H23N3O — CID 66154561

IUPACN-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCCn1cncc1COc1ccccc1CNCC
InChIInChI=1S/C16H23N3O/c1-3-9-19-13-18-11-15(19)12-20-16-8-6-5-7-14(16)10-17-4-2/h5-8,11,13,17H,3-4,9-10,12H2,1-2H3
InChIKeyALJNJOUPGVUWHG-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.98
Rot. Bonds8

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

N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 66154561) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID66154561
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCCn1cncc1COc1ccccc1CNCC
InChIInChI=1S/C16H23N3O/c1-3-9-19-13-18-11-15(19)12-20-16-8-6-5-7-14(16)10-17-4-2/h5-8,11,13,17H,3-4,9-10,12H2,1-2H3
InChIKeyALJNJOUPGVUWHG-UHFFFAOYSA-N
XLogP2.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 66134173
1-[2-chloro-6-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318711
2-(2-methoxyphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 106259901
1-[4-methoxy-2-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 66153594
N-[[2-(1,3-thiazol-5-ylmethoxy)phenyl]methyl]ethanamine
CID 112640303
N-methyl-1-[4-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66154174
N-[[2-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495262
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445560
[3-methyl-2-[(3-propylimidazol-4-yl)methoxy]phenyl]methanamine
CID 112607433
1-[3-fluoro-4-[(3-propylimidazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 107686431
N-[[2-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62440443

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine (CID 66154561) is N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine is CCCn1cncc1COc1ccccc1CNCC.
What is the InChIKey of N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is ALJNJOUPGVUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-9-19-13-18-11-15(19)12-20-16-8-6-5-7-14(16)10-17-4-2/h5-8,11,13,17H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine?
N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-propylimidazol-4-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 66154561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).