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

C14H16BrNS — CID 78911502

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccc(Br)s1
InChIInChI=1S/C14H16BrNS/c1-11-4-2-3-5-12(11)8-9-16-10-13-6-7-14(15)17-13/h2-7,16H,8-10H2,1H3
InChIKeyYOPGPCVBZRSYET-UHFFFAOYSA-N
MW310.26 g/mol
LogP4.15
Rot. Bonds5

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

N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 78911502) has the molecular formula C14H16BrNS and a molecular weight of 310.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID78911502
Molecular FormulaC14H16BrNS
Molecular Weight310.26 g/mol
Exact Mass309.02
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1ccc(Br)s1
InChIInChI=1S/C14H16BrNS/c1-11-4-2-3-5-12(11)8-9-16-10-13-6-7-14(15)17-13/h2-7,16H,8-10H2,1H3
InChIKeyYOPGPCVBZRSYET-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine
CID 106043701
N-[(4-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911495
2-[2-[[(5-bromothiophen-2-yl)methylamino]methyl]phenyl]-N-methylethanamine
CID 104546961
N-[(2-bromophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910561
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 32776290
N-[(5-bromothiophen-2-yl)methyl]propan-1-amine
CID 24705836
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
1-(5-bromothiophen-2-yl)-4-(2-methylphenyl)butan-2-amine
CID 105134771
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 79763664
2-[(2-methylphenyl)methylsulfanyl]-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 62771250
1-(2-methylphenyl)-N-[(5-methylthiophen-2-yl)methyl]methanamine
CID 60664383

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 78911502) is N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is YOPGPCVBZRSYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNS/c1-11-4-2-3-5-12(11)8-9-16-10-13-6-7-14(15)17-13/h2-7,16H,8-10H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 310.26 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 78911502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).