N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine

C18H27N3O3 — CID 54848998

IUPACN-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCOCCOc1c(CNCCCn2ccnc2)cccc1OC
InChIInChI=1S/C18H27N3O3/c1-3-23-12-13-24-18-16(6-4-7-17(18)22-2)14-19-8-5-10-21-11-9-20-15-21/h4,6-7,9,11,15,19H,3,5,8,10,12-14H2,1-2H3
InChIKeyCOMITLQMPYKZSJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.49
Rot. Bonds12

About N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine

N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 54848998) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID54848998
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCCOCCOc1c(CNCCCn2ccnc2)cccc1OC
InChIInChI=1S/C18H27N3O3/c1-3-23-12-13-24-18-16(6-4-7-17(18)22-2)14-19-8-5-10-21-11-9-20-15-21/h4,6-7,9,11,15,19H,3,5,8,10,12-14H2,1-2H3
InChIKeyCOMITLQMPYKZSJ-UHFFFAOYSA-N
XLogP2.49
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxy-3-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155511
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]octan-1-amine
CID 54807521
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17206128
2-imidazol-1-yl-N-[(4-methoxynaphthalen-1-yl)methyl]ethanamine
CID 78975055
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N-[[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 115952959
N-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 66535681
3-ethoxy-N-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 7991094
N-[[3-fluoro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]-2-methoxyethanamine
CID 115955450
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]heptan-1-amine
CID 54847674
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methyl]butan-1-amine
CID 54805198

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine (CID 54848998) is N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine is CCOCCOc1c(CNCCCn2ccnc2)cccc1OC.
What is the InChIKey of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is COMITLQMPYKZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-23-12-13-24-18-16(6-4-7-17(18)22-2)14-19-8-5-10-21-11-9-20-15-21/h4,6-7,9,11,15,19H,3,5,8,10,12-14H2,1-2H3.
What are the key properties of N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine?
N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 333.43 g/mol, XLogP of 2.49, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 54848998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).