N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine

C15H16ClNS — CID 155140862

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine
SMILESCc1ccccc1C(C)/C=N/Cc1ccc(Cl)s1
InChIInChI=1S/C15H16ClNS/c1-11-5-3-4-6-14(11)12(2)9-17-10-13-7-8-15(16)18-13/h3-9,12H,10H2,1-2H3/b17-9+
InChIKeyILZIJIJYCPMRRS-RQZCQDPDSA-N
MW277.82 g/mol
LogP5.08
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine

N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine (PubChem CID 155140862) has the molecular formula C15H16ClNS and a molecular weight of 277.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine
PubChem CID155140862
Molecular FormulaC15H16ClNS
Molecular Weight277.82 g/mol
Exact Mass277.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine
SMILESCc1ccccc1C(C)/C=N/Cc1ccc(Cl)s1
InChIInChI=1S/C15H16ClNS/c1-11-5-3-4-6-14(11)12(2)9-17-10-13-7-8-15(16)18-13/h3-9,12H,10H2,1-2H3/b17-9+
InChIKeyILZIJIJYCPMRRS-RQZCQDPDSA-N
XLogP5.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.82
LogP ≤ 55.08
H-Bond Donors ≤ 50
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 N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine (CID 155140862) is N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine is Cc1ccccc1C(C)/C=N/Cc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine?
The InChIKey is ILZIJIJYCPMRRS-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H16ClNS/c1-11-5-3-4-6-14(11)12(2)9-17-10-13-7-8-15(16)18-13/h3-9,12H,10H2,1-2H3/b17-9+.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine?
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine has a molecular weight of 277.82 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylphenyl)propan-1-imine is sourced from PubChem (CID 155140862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).