1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine

C15H21N3O — CID 103464718

IUPAC1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine
SMILESCCC(NC(COC)c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C15H21N3O/c1-3-13(15-16-9-10-17-15)18-14(11-19-2)12-7-5-4-6-8-12/h4-10,13-14,18H,3,11H2,1-2H3,(H,16,17)
InChIKeyIDJBVGGHUJVZTD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.84
Rot. Bonds7

About 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine

1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine (PubChem CID 103464718) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine
PubChem CID103464718
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine
SMILESCCC(NC(COC)c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C15H21N3O/c1-3-13(15-16-9-10-17-15)18-14(11-19-2)12-7-5-4-6-8-12/h4-10,13-14,18H,3,11H2,1-2H3,(H,16,17)
InChIKeyIDJBVGGHUJVZTD-UHFFFAOYSA-N
XLogP2.84
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-methoxy-1-phenylethanamine
CID 113235607
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(2R)-2-amino-N-[1-(1H-imidazol-2-yl)propyl]-2-phenylacetamide
CID 104871611
2-(2-ethoxy-1-phenylethyl)-1H-imidazole
CID 57296965
N-[1-(2-fluorophenyl)propan-2-yl]-1-(1H-imidazol-2-yl)propan-1-amine
CID 114830855
1-(3-fluorophenyl)-N-[1-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 114871866
(1R)-1-(1H-imidazol-2-yl)-N-methyl-1-phenylmethanamine
CID 124512474
1,3-bis[1-(1H-imidazol-2-yl)propyl]urea
CID 162195808
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
N-ethyl-1-(1H-imidazol-2-yl)-4-methoxybutan-1-amine
CID 114856593
(E,1R)-N-[(1R)-2-methoxy-1-phenylethyl]-1-phenyl-4-trimethylsilylbut-3-en-1-amine
CID 23642490
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine (CID 103464718) is 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine is CCC(NC(COC)c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine?
The InChIKey is IDJBVGGHUJVZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-13(15-16-9-10-17-15)18-14(11-19-2)12-7-5-4-6-8-12/h4-10,13-14,18H,3,11H2,1-2H3,(H,16,17).
What are the key properties of 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine?
1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine has a molecular weight of 259.35 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-(2-methoxy-1-phenylethyl)propan-1-amine is sourced from PubChem (CID 103464718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).