N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine

C16H23N3O — CID 60880817

IUPACN-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C16H23N3O/c1-4-9-17-13(2)14-5-7-15(8-6-14)20-12-16-18-10-11-19(16)3/h5-8,10-11,13,17H,4,9,12H2,1-3H3
InChIKeyOSZIOTHIFGRRTA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds7

About N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine

N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine (PubChem CID 60880817) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
PubChem CID60880817
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C16H23N3O/c1-4-9-17-13(2)14-5-7-15(8-6-14)20-12-16-18-10-11-19(16)3/h5-8,10-11,13,17H,4,9,12H2,1-3H3
InChIKeyOSZIOTHIFGRRTA-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 75427713
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073
N-[1-[4-(pyrimidin-2-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 62698763
N-[[5-[(1-methylimidazol-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781688
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
N-[1-[4-[(4-methylphenyl)methoxy]phenyl]ethyl]propan-1-amine
CID 43279374
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60882672
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
(1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine
CID 97229394
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine (CID 60880817) is N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
The InChIKey is OSZIOTHIFGRRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-9-17-13(2)14-5-7-15(8-6-14)20-12-16-18-10-11-19(16)3/h5-8,10-11,13,17H,4,9,12H2,1-3H3.
What are the key properties of N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine?
N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 60880817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).