N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine

C17H25N3O — CID 62441013

IUPACN-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCn2cnc(C)c2C)cc1
InChIInChI=1S/C17H25N3O/c1-4-9-18-12-16-5-7-17(8-6-16)21-11-10-20-13-19-14(2)15(20)3/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyDDORFMMBGWNILV-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.08
Rot. Bonds8

About N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine

N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62441013) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID62441013
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCCn2cnc(C)c2C)cc1
InChIInChI=1S/C17H25N3O/c1-4-9-18-12-16-5-7-17(8-6-16)21-11-10-20-13-19-14(2)15(20)3/h5-8,13,18H,4,9-12H2,1-3H3
InChIKeyDDORFMMBGWNILV-UHFFFAOYSA-N
XLogP3.08
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.08
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

1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole
CID 115624859
N-[(4-cyclopentyloxyphenyl)methyl]-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 131929150
N-[(4-chlorophenyl)methyl]-3-(4,5-dimethylimidazol-1-yl)propan-1-amine
CID 19429433
2-[4-(propylaminomethyl)phenoxy]ethanol
CID 17213252
4-[4-(propylaminomethyl)phenoxy]butanenitrile
CID 60878188
1-[3-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62440640
N-[[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527116
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62441973
N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64553735
N-[[4-[(4-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62450171
N-[[4-(2-butan-2-yloxyethoxy)phenyl]methyl]propan-1-amine
CID 62452923
4-[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 62351286

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine (CID 62441013) is N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1ccc(OCCn2cnc(C)c2C)cc1.
What is the InChIKey of N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is DDORFMMBGWNILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-9-18-12-16-5-7-17(8-6-16)21-11-10-20-13-19-14(2)15(20)3/h5-8,13,18H,4,9-12H2,1-3H3.
What are the key properties of N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine?
N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62441013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).