N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine

C17H25N3O — CID 114531489

IUPACN-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine
SMILESCOCCNCC(CCc1nccn1C)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-20-12-10-19-17(20)9-8-16(14-18-11-13-21-2)15-6-4-3-5-7-15/h3-7,10,12,16,18H,8-9,11,13-14H2,1-2H3
InChIKeySKASTSDUBRTAMJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.37
Rot. Bonds9

About N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine

N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine (PubChem CID 114531489) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine
PubChem CID114531489
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine
SMILESCOCCNCC(CCc1nccn1C)c1ccccc1
InChIInChI=1S/C17H25N3O/c1-20-12-10-19-17(20)9-8-16(14-18-11-13-21-2)15-6-4-3-5-7-15/h3-7,10,12,16,18H,8-9,11,13-14H2,1-2H3
InChIKeySKASTSDUBRTAMJ-UHFFFAOYSA-N
XLogP2.37
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.37
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

N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 65431371
4-(1-methylimidazol-2-yl)-2-(2-methylphenyl)-N-propylbutan-1-amine
CID 114531502
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
2-(3-bromo-3-phenylpropyl)-1-methylimidazole
CID 64509692
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
2-methoxy-N-[[2-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 63058179
N-[2-(3-methoxypropoxy)ethyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 103178855
2-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]ethanamine
CID 66403057
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
N-methyl-1-(1-methylimidazol-2-yl)-5-phenoxypentan-3-amine
CID 114529898
1-(3-methoxyphenyl)-2-[2-(1-methylimidazol-2-yl)ethylamino]ethanol
CID 81133901
2-methyl-N-[3-(1-methylimidazol-2-yl)-2-phenylpropyl]propan-2-amine
CID 81024683

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine (CID 114531489) is N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine is COCCNCC(CCc1nccn1C)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine?
The InChIKey is SKASTSDUBRTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-20-12-10-19-17(20)9-8-16(14-18-11-13-21-2)15-6-4-3-5-7-15/h3-7,10,12,16,18H,8-9,11,13-14H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine?
N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(1-methylimidazol-2-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 114531489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).