N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine

C17H21NO — CID 117391754

IUPACN-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine
SMILESCONCc1ccc(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-13(2)16-10-9-14(12-18-19-3)11-17(16)15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3
InChIKeyRGSILZBHGLAUPJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.13
Rot. Bonds5

About N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine

N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine (PubChem CID 117391754) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine
PubChem CID117391754
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC NameN-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine
SMILESCONCc1ccc(C(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C17H21NO/c1-13(2)16-10-9-14(12-18-19-3)11-17(16)15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3
InChIKeyRGSILZBHGLAUPJ-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine?
The IUPAC name of N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine (CID 117391754) is N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine?
The canonical SMILES for N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine is CONCc1ccc(C(C)C)c(-c2ccccc2)c1.
What is the InChIKey of N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine?
The InChIKey is RGSILZBHGLAUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(2)16-10-9-14(12-18-19-3)11-17(16)15-7-5-4-6-8-15/h4-11,13,18H,12H2,1-3H3.
What are the key properties of N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine?
N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine has a molecular weight of 255.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(3-phenyl-4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 117391754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).