N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine

C16H19BrN2 — CID 126081547

IUPACN-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
SMILESCCn1c(C)cc(/C=N/c2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C16H19BrN2/c1-5-19-12(3)9-14(13(19)4)10-18-15-6-7-16(17)11(2)8-15/h6-10H,5H2,1-4H3/b18-10+
InChIKeyPIMBYRDRXWWKOL-VCHYOVAHSA-N
MW319.25 g/mol
LogP4.95
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine

N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine (PubChem CID 126081547) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
PubChem CID126081547
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine
SMILESCCn1c(C)cc(/C=N/c2ccc(Br)c(C)c2)c1C
InChIInChI=1S/C16H19BrN2/c1-5-19-12(3)9-14(13(19)4)10-18-15-6-7-16(17)11(2)8-15/h6-10H,5H2,1-4H3/b18-10+
InChIKeyPIMBYRDRXWWKOL-VCHYOVAHSA-N
XLogP4.95
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.95
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

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CID 50855849
N-(4-bromo-3-methylphenyl)-1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methanimine
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine (CID 126081547) is N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine is CCn1c(C)cc(/C=N/c2ccc(Br)c(C)c2)c1C.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine?
The InChIKey is PIMBYRDRXWWKOL-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-5-19-12(3)9-14(13(19)4)10-18-15-6-7-16(17)11(2)8-15/h6-10H,5H2,1-4H3/b18-10+.
What are the key properties of N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine?
N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine has a molecular weight of 319.25 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanimine is sourced from PubChem (CID 126081547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).