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

C15H21N3O — CID 114527270

IUPAC1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCc2nccn2C)cc1
InChIInChI=1S/C15H21N3O/c1-12(16)11-13-3-5-14(6-4-13)19-10-7-15-17-8-9-18(15)2/h3-6,8-9,12H,7,10-11,16H2,1-2H3
InChIKeySHRAGCZUNZAHHF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.93
Rot. Bonds6

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

1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine (PubChem CID 114527270) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
PubChem CID114527270
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCCc2nccn2C)cc1
InChIInChI=1S/C15H21N3O/c1-12(16)11-13-3-5-14(6-4-13)19-10-7-15-17-8-9-18(15)2/h3-6,8-9,12H,7,10-11,16H2,1-2H3
InChIKeySHRAGCZUNZAHHF-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[2-(1-methylimidazol-2-yl)ethoxy]-2-pyridinyl]propan-2-amine
CID 114530931
4-[2-(1-methylimidazol-2-yl)ethoxy]phenol
CID 114528497
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
N-[[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527116
1-[5-bromo-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine
CID 114530902
3-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-amine
CID 114530874
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
1-[4-(2-bromoethoxy)phenyl]propan-2-amine
CID 170864441
1-[1-[2-(4-bromophenoxy)ethyl]imidazol-2-yl]propan-2-amine
CID 63095826
(1R)-1-[2-fluoro-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]ethanol
CID 107720209
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine (CID 114527270) is 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCCc2nccn2C)cc1.
What is the InChIKey of 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
The InChIKey is SHRAGCZUNZAHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(16)11-13-3-5-14(6-4-13)19-10-7-15-17-8-9-18(15)2/h3-6,8-9,12H,7,10-11,16H2,1-2H3.
What are the key properties of 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine?
1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]propan-2-amine is sourced from PubChem (CID 114527270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).