1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine

C17H19NO — CID 54282105

IUPAC1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine
SMILESC=C(Cc1ccccc1)ONCc1ccccc1C
InChIInChI=1S/C17H19NO/c1-14-8-6-7-11-17(14)13-18-19-15(2)12-16-9-4-3-5-10-16/h3-11,18H,2,12-13H2,1H3
InChIKeyRRMQVBMGYXHFFK-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.77
Rot. Bonds6

About 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine

1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine (PubChem CID 54282105) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine
PubChem CID54282105
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine
SMILESC=C(Cc1ccccc1)ONCc1ccccc1C
InChIInChI=1S/C17H19NO/c1-14-8-6-7-11-17(14)13-18-19-15(2)12-16-9-4-3-5-10-16/h3-11,18H,2,12-13H2,1H3
InChIKeyRRMQVBMGYXHFFK-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine?
The IUPAC name of 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine (CID 54282105) is 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine is C=C(Cc1ccccc1)ONCc1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine?
The InChIKey is RRMQVBMGYXHFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-14-8-6-7-11-17(14)13-18-19-15(2)12-16-9-4-3-5-10-16/h3-11,18H,2,12-13H2,1H3.
What are the key properties of 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine?
1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine has a molecular weight of 253.34 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(3-phenylprop-1-en-2-yloxy)methanamine is sourced from PubChem (CID 54282105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).