N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine

C13H11BrClNS — CID 169069562

IUPACN-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine
SMILESClc1ccc(/C=N/CCc2ccccc2Br)s1
InChIInChI=1S/C13H11BrClNS/c14-12-4-2-1-3-10(12)7-8-16-9-11-5-6-13(15)17-11/h1-6,9H,7-8H2/b16-9+
InChIKeyMPMCRQXOPLZTLB-CXUHLZMHSA-N
MW328.66 g/mol
LogP4.83
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine

N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine (PubChem CID 169069562) has the molecular formula C13H11BrClNS and a molecular weight of 328.66 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine
PubChem CID169069562
Molecular FormulaC13H11BrClNS
Molecular Weight328.66 g/mol
Exact Mass326.95
IUPAC NameN-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine
SMILESClc1ccc(/C=N/CCc2ccccc2Br)s1
InChIInChI=1S/C13H11BrClNS/c14-12-4-2-1-3-10(12)7-8-16-9-11-5-6-13(15)17-11/h1-6,9H,7-8H2/b16-9+
InChIKeyMPMCRQXOPLZTLB-CXUHLZMHSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.66
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)methanimine
CID 11601254
N-[3-(5-bromothiophen-2-yl)prop-2-ynyl]-1-(4-chlorophenyl)methanimine
CID 18915505
N-[3-(5-bromothiophen-2-yl)prop-2-ynyl]-1-(2-chlorophenyl)methanimine
CID 18915668
6-Chloro-1-(2,5-dibromo-3-thienyl)-3,4-dihydroisoquinoline
CID 66747882
2-(2-Chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine
CID 142934759
2-[(2-Bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)propan-1-amine
CID 55083481
1-(2-Bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-amine
CID 62830017
2-(2-Bromophenyl)-3-(5-chlorothiophen-2-yl)propan-1-amine
CID 79449009
2-(2-Bromophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 83987327
N-(4-bromo-3-methylphenyl)-1-(5-chlorothiophen-2-yl)methanimine
CID 125970846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine (CID 169069562) is N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine is Clc1ccc(/C=N/CCc2ccccc2Br)s1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine?
The InChIKey is MPMCRQXOPLZTLB-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H11BrClNS/c14-12-4-2-1-3-10(12)7-8-16-9-11-5-6-13(15)17-11/h1-6,9H,7-8H2/b16-9+.
What are the key properties of N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine?
N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine has a molecular weight of 328.66 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-1-(5-chlorothiophen-2-yl)methanimine is sourced from PubChem (CID 169069562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).