(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine

C15H21N3O — CID 104941453

IUPAC(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
SMILESCCOCCn1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-19-9-8-18-12-17-11-15(18)14(16)10-13-6-4-3-5-7-13/h3-7,11-12,14H,2,8-10,16H2,1H3/t14-/m1/s1
InChIKeyCLFGRDWYLURPKP-CQSZACIVSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds7

About (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine

(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine (PubChem CID 104941453) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
PubChem CID104941453
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine
SMILESCCOCCn1cncc1[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H21N3O/c1-2-19-9-8-18-12-17-11-15(18)14(16)10-13-6-4-3-5-7-13/h3-7,11-12,14H,2,8-10,16H2,1H3/t14-/m1/s1
InChIKeyCLFGRDWYLURPKP-CQSZACIVSA-N
XLogP2.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
(1R)-1-[3-(1-ethoxypropan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942509
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
1-[5-[(1R)-1-amino-2-phenylethyl]imidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 104942784
(1R)-1-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]-2-phenylethanamine
CID 104943111
(1R)-1-[3-(3-methylpentan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104942446
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
(1S)-1-[3-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 104941869
(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
CID 104942754
(1R)-1-[3-(5-methylhexan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104943198

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine?
The IUPAC name of (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine (CID 104941453) is (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine.
What is the SMILES notation for (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine?
The canonical SMILES for (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine is CCOCCn1cncc1[C@H](N)Cc1ccccc1.
What is the InChIKey of (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine?
The InChIKey is CLFGRDWYLURPKP-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-19-9-8-18-12-17-11-15(18)14(16)10-13-6-4-3-5-7-13/h3-7,11-12,14H,2,8-10,16H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine?
(1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-ethoxyethyl)imidazol-4-yl]-2-phenylethanamine is sourced from PubChem (CID 104941453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).