(E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine

C16H16ClNO — CID 117061102

IUPAC(E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine
SMILESC/C=C(/NOCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-2-16(13-8-4-3-5-9-13)18-19-12-14-10-6-7-11-15(14)17/h2-11,18H,12H2,1H3/b16-2+
InChIKeyFQBHHPSGYYEQAL-APQPDGGLSA-N
MW273.76 g/mol
LogP4.42
Rot. Bonds5

About (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine

(E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine (PubChem CID 117061102) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine
PubChem CID117061102
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name(E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine
SMILESC/C=C(/NOCc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO/c1-2-16(13-8-4-3-5-9-13)18-19-12-14-10-6-7-11-15(14)17/h2-11,18H,12H2,1H3/b16-2+
InChIKeyFQBHHPSGYYEQAL-APQPDGGLSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.42
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 (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine?
The IUPAC name of (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine (CID 117061102) is (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine.
What is the SMILES notation for (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine?
The canonical SMILES for (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine is C/C=C(/NOCc1ccccc1Cl)c1ccccc1.
What is the InChIKey of (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine?
The InChIKey is FQBHHPSGYYEQAL-APQPDGGLSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-2-16(13-8-4-3-5-9-13)18-19-12-14-10-6-7-11-15(14)17/h2-11,18H,12H2,1H3/b16-2+.
What are the key properties of (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine?
(E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine has a molecular weight of 273.76 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-chlorophenyl)methoxy]-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 117061102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).