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

C15H19N3 — CID 168665221

IUPACN-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESC=Cc1ccccc1CNCCCn1ccnc1
InChIInChI=1S/C15H19N3/c1-2-14-6-3-4-7-15(14)12-16-8-5-10-18-11-9-17-13-18/h2-4,6-7,9,11,13,16H,1,5,8,10,12H2
InChIKeySYVZVWUENVCTAZ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.71
Rot. Bonds7

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

N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 168665221) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID168665221
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESC=Cc1ccccc1CNCCCn1ccnc1
InChIInChI=1S/C15H19N3/c1-2-14-6-3-4-7-15(14)12-16-8-5-10-18-11-9-17-13-18/h2-4,6-7,9,11,13,16H,1,5,8,10,12H2
InChIKeySYVZVWUENVCTAZ-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155361
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
4-imidazol-1-yl-N-(isoquinolin-4-ylmethyl)butan-1-amine
CID 115748322
4-imidazol-1-yl-N-[(2-prop-2-ynoxyphenyl)methyl]butan-1-amine
CID 61070537
3-imidazol-1-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)propan-1-amine
CID 59506750
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880
2-[(2-imidazol-1-ylethylamino)methyl]benzonitrile
CID 60695143
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
N-ethenyl-3-imidazol-1-ylpropan-1-amine
CID 143541256

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 168665221) is N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is C=Cc1ccccc1CNCCCn1ccnc1.
What is the InChIKey of N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is SYVZVWUENVCTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-14-6-3-4-7-15(14)12-16-8-5-10-18-11-9-17-13-18/h2-4,6-7,9,11,13,16H,1,5,8,10,12H2.
What are the key properties of N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethenylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 168665221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).