N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine

C16H23N3O — CID 114527122

IUPACN-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCCc1nccn1C
InChIInChI=1S/C16H23N3O/c1-13(2)18-12-14-6-4-5-7-15(14)20-11-8-16-17-9-10-19(16)3/h4-7,9-10,13,18H,8,11-12H2,1-3H3
InChIKeyVOHRTIGIKSVTGS-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.54
Rot. Bonds7

About N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine

N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 114527122) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID114527122
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1OCCc1nccn1C
InChIInChI=1S/C16H23N3O/c1-13(2)18-12-14-6-4-5-7-15(14)20-11-8-16-17-9-10-19(16)3/h4-7,9-10,13,18H,8,11-12H2,1-3H3
InChIKeyVOHRTIGIKSVTGS-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 107696232
2-[2-[2-(chloromethyl)phenoxy]ethyl]-1-methylimidazole
CID 114528413
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
2-[2-(2-iodophenoxy)ethyl]-1-methylimidazole
CID 114527999
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 63025572
potassium trifluoro-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]boranuide
CID 114528509
1-(2-ethoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63001857
N-[[1-[(1-methylimidazol-2-yl)methyl]indol-7-yl]methyl]propan-2-amine
CID 102914690
1-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanone
CID 114527954
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 114527122) is N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1OCCc1nccn1C.
What is the InChIKey of N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is VOHRTIGIKSVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(2)18-12-14-6-4-5-7-15(14)20-11-8-16-17-9-10-19(16)3/h4-7,9-10,13,18H,8,11-12H2,1-3H3.
What are the key properties of N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine?
N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 114527122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).