2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine

C15H18BrNS — CID 106043701

IUPAC2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCc2ccc(Br)s2)c1C
InChIInChI=1S/C15H18BrNS/c1-11-4-3-5-13(12(11)2)10-17-9-8-14-6-7-15(16)18-14/h3-7,17H,8-10H2,1-2H3
InChIKeyNZFPKDGHSSPXIB-UHFFFAOYSA-N
MW324.29 g/mol
LogP4.46
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine

2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 106043701) has the molecular formula C15H18BrNS and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID106043701
Molecular FormulaC15H18BrNS
Molecular Weight324.29 g/mol
Exact Mass323.03
IUPAC Name2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine
SMILESCc1cccc(CNCCc2ccc(Br)s2)c1C
InChIInChI=1S/C15H18BrNS/c1-11-4-3-5-13(12(11)2)10-17-9-8-14-6-7-15(16)18-14/h3-7,17H,8-10H2,1-2H3
InChIKeyNZFPKDGHSSPXIB-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 54.46
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

N-[(5-bromothiophen-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 78911502
N-[(2-bromo-4-methylphenyl)methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 114140050
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 106046977
N-[[2-[(5-bromothiophen-2-yl)methoxy]-3-methylphenyl]methyl]propan-1-amine
CID 115952833
2-(5-bromothiophen-2-yl)-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
CID 106044016
3-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]-N-methylaniline
CID 115212276
(2R)-1-[2-(5-bromothiophen-2-yl)ethylamino]propan-2-ol
CID 96666636
2-(5-bromothiophen-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 106047099
N-[[3-(aminomethyl)phenyl]methyl]-2-(5-bromothiophen-2-yl)ethanamine
CID 115213054
N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 60657470
2-(5-bromothiophen-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 113227156
2-(5-bromothiophen-2-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]ethanamine
CID 106047161

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine (CID 106043701) is 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine is Cc1cccc(CNCCc2ccc(Br)s2)c1C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is NZFPKDGHSSPXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNS/c1-11-4-3-5-13(12(11)2)10-17-9-8-14-6-7-15(16)18-14/h3-7,17H,8-10H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine?
2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 324.29 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-[(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106043701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).