N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine

C16H23N3O — CID 115494840

IUPACN-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCCn2ccnc2C)cc1
InChIInChI=1S/C16H23N3O/c1-13(17-3)12-15-4-6-16(7-5-15)20-11-10-19-9-8-18-14(19)2/h4-9,13,17H,10-12H2,1-3H3
InChIKeyOOEPPVSTJWEHST-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.42
Rot. Bonds7

About N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine

N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 115494840) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
PubChem CID115494840
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(OCCn2ccnc2C)cc1
InChIInChI=1S/C16H23N3O/c1-13(17-3)12-15-4-6-16(7-5-15)20-11-10-19-9-8-18-14(19)2/h4-9,13,17H,10-12H2,1-3H3
InChIKeyOOEPPVSTJWEHST-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494639
1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
CID 61493838
N-methyl-1-(4-pent-4-enoxyphenyl)propan-2-amine
CID 113322961
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
1-[4-[4-[2-(dimethylamino)ethoxy]phenyl]phenyl]-N-methylpropan-2-amine
CID 110447832
1-[4-(3-ethylsulfonylpropoxy)phenyl]-N-methylpropan-2-amine
CID 115494825
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781
2-methyl-N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62446843

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine (CID 115494840) is N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine is CNC(C)Cc1ccc(OCCn2ccnc2C)cc1.
What is the InChIKey of N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is OOEPPVSTJWEHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(17-3)12-15-4-6-16(7-5-15)20-11-10-19-9-8-18-14(19)2/h4-9,13,17H,10-12H2,1-3H3.
What are the key properties of N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine?
N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.42, 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-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 115494840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).