N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine

C14H16BrNS — CID 82766566

IUPACN-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(C)ccc2Br)s1
InChIInChI=1S/C14H16BrNS/c1-3-16-9-11-5-7-14(17-11)12-8-10(2)4-6-13(12)15/h4-8,16H,3,9H2,1-2H3
InChIKeyMXZYMCLNHBRULR-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.60
Rot. Bonds4

About N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 82766566) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine
PubChem CID82766566
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(C)ccc2Br)s1
InChIInChI=1S/C14H16BrNS/c1-3-16-9-11-5-7-14(17-11)12-8-10(2)4-6-13(12)15/h4-8,16H,3,9H2,1-2H3
InChIKeyMXZYMCLNHBRULR-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine (CID 82766566) is N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(-c2cc(C)ccc2Br)s1.
What is the InChIKey of N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is MXZYMCLNHBRULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-3-16-9-11-5-7-14(17-11)12-8-10(2)4-6-13(12)15/h4-8,16H,3,9H2,1-2H3.
What are the key properties of N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-5-methylphenyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 82766566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).