2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol

C15H21N3O2 — CID 28832019

IUPAC2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol
SMILESCCOc1cc(CNCCCn2ccnc2)ccc1O
InChIInChI=1S/C15H21N3O2/c1-2-20-15-10-13(4-5-14(15)19)11-16-6-3-8-18-9-7-17-12-18/h4-5,7,9-10,12,16,19H,2-3,6,8,11H2,1H3
InChIKeyKXTAVKVPJKHFGY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.17
Rot. Bonds8

About 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol

2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol (PubChem CID 28832019) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol
PubChem CID28832019
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol
SMILESCCOc1cc(CNCCCn2ccnc2)ccc1O
InChIInChI=1S/C15H21N3O2/c1-2-20-15-10-13(4-5-14(15)19)11-16-6-3-8-18-9-7-17-12-18/h4-5,7,9-10,12,16,19H,2-3,6,8,11H2,1H3
InChIKeyKXTAVKVPJKHFGY-UHFFFAOYSA-N
XLogP2.17
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
N-[(3-bromo-4-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29222813
2-ethoxy-4-[(3-piperidin-1-ylpropylamino)methyl]phenol
CID 28657313
4-[(2-imidazol-1-ylethylamino)methyl]benzene-1,2-diol
CID 60664482
3-imidazol-1-yl-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]propan-1-amine
CID 54848745
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
3-imidazol-1-yl-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 54848716
2-ethoxy-4-(propylaminomethyl)phenol;hydrochloride
CID 53256552
3-imidazol-1-yl-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156153
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155429
N-[(4-fluoro-3-methylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 62122292
3-imidazol-1-yl-N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17156431

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol?
The IUPAC name of 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol (CID 28832019) is 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol is CCOc1cc(CNCCCn2ccnc2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol?
The InChIKey is KXTAVKVPJKHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-20-15-10-13(4-5-14(15)19)11-16-6-3-8-18-9-7-17-12-18/h4-5,7,9-10,12,16,19H,2-3,6,8,11H2,1H3.
What are the key properties of 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol?
2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol has a molecular weight of 275.35 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(3-imidazol-1-ylpropylamino)methyl]phenol is sourced from PubChem (CID 28832019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).