3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol

C16H16BrNO — CID 101452225

IUPAC3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESOCCC(/N=C/c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c17-15-8-4-5-13(11-15)12-18-16(9-10-19)14-6-2-1-3-7-14/h1-8,11-12,16,19H,9-10H2/b18-12+
InChIKeyWKFBFIZEWHEMCY-LDADJPATSA-N
MW318.21 g/mol
LogP3.99
Rot. Bonds5

About 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol

3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol (PubChem CID 101452225) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol
PubChem CID101452225
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol
SMILESOCCC(/N=C/c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c17-15-8-4-5-13(11-15)12-18-16(9-10-19)14-6-2-1-3-7-14/h1-8,11-12,16,19H,9-10H2/b18-12+
InChIKeyWKFBFIZEWHEMCY-LDADJPATSA-N
XLogP3.99
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol?
The IUPAC name of 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol (CID 101452225) is 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol.
What is the SMILES notation for 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol?
The canonical SMILES for 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol is OCCC(/N=C/c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol?
The InChIKey is WKFBFIZEWHEMCY-LDADJPATSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-15-8-4-5-13(11-15)12-18-16(9-10-19)14-6-2-1-3-7-14/h1-8,11-12,16,19H,9-10H2/b18-12+.
What are the key properties of 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol?
3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol has a molecular weight of 318.21 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methylideneamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 101452225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).