N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine

C15H21N3O — CID 61494562

IUPACN-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C15H21N3O/c1-2-16-12-14-5-3-6-15(11-14)19-10-4-8-18-9-7-17-13-18/h3,5-7,9,11,13,16H,2,4,8,10,12H2,1H3
InChIKeyYIEGNLRPIJLXAT-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.46
Rot. Bonds8

About N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine

N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine (PubChem CID 61494562) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
PubChem CID61494562
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C15H21N3O/c1-2-16-12-14-5-3-6-15(11-14)19-10-4-8-18-9-7-17-13-18/h3,5-7,9,11,13,16H,2,4,8,10,12H2,1H3
InChIKeyYIEGNLRPIJLXAT-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.46
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

3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
3-imidazol-1-yl-N-[[3-(2-methylprop-2-enoxy)phenyl]methyl]propan-1-amine
CID 54848934
N-[[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]methyl]ethanamine
CID 61494612
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
N-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 60882800
3-(3-imidazol-1-ylpropoxy)phenol
CID 61492833
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
3-imidazol-1-yl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17156523
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine (CID 61494562) is N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine is CCNCc1cccc(OCCCn2ccnc2)c1.
What is the InChIKey of N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine?
The InChIKey is YIEGNLRPIJLXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-16-12-14-5-3-6-15(11-14)19-10-4-8-18-9-7-17-13-18/h3,5-7,9,11,13,16H,2,4,8,10,12H2,1H3.
What are the key properties of N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine?
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 61494562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).