N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine

C17H18BrN — CID 134879976

IUPACN-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine
SMILESC/C(=N\C[C@H](C)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H18BrN/c1-13(16-10-6-7-11-17(16)18)12-19-14(2)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3/b19-14+/t13-/m0/s1
InChIKeyBSXKGWHJQJYSIY-AZDDOORDSA-N
MW316.24 g/mol
LogP5.06
Rot. Bonds4

About N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine

N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine (PubChem CID 134879976) has the molecular formula C17H18BrN and a molecular weight of 316.24 g/mol. Its IUPAC name is N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine
PubChem CID134879976
Molecular FormulaC17H18BrN
Molecular Weight316.24 g/mol
Exact Mass315.06
IUPAC NameN-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine
SMILESC/C(=N\C[C@H](C)c1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H18BrN/c1-13(16-10-6-7-11-17(16)18)12-19-14(2)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3/b19-14+/t13-/m0/s1
InChIKeyBSXKGWHJQJYSIY-AZDDOORDSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.24
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 127024854
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CID 3068655
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CID 101534294
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(1E)-2-(2-bromophenyl)-1-cyclohexyl-1-azaethene
CID 759356
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CID 86185797
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CID 12306329
1-(3-Bromophenyl)-3,4-dihydroisoquinoline
CID 44248023
(E)-N-(2-Bromobenzylidene)-1,1-diphenylmethanamine
CID 59315617
1-[(2-Bromophenyl)methyl]-3,4-dihydroisoquinoline
CID 86025440
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3-(4-bromophenyl)-2-phenyl-2H-azirine
CID 141497719

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine?
The IUPAC name of N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine (CID 134879976) is N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine.
What is the SMILES notation for N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine?
The canonical SMILES for N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine is C/C(=N\C[C@H](C)c1ccccc1Br)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine?
The InChIKey is BSXKGWHJQJYSIY-AZDDOORDSA-N. The full InChI is InChI=1S/C17H18BrN/c1-13(16-10-6-7-11-17(16)18)12-19-14(2)15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3/b19-14+/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine?
N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine has a molecular weight of 316.24 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-bromophenyl)propyl]-1-phenylethanimine is sourced from PubChem (CID 134879976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).